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439120-68-0 | 4-(2-ethylbutanoyl)-N-[(pyridin-4-yl)methyl]-1H-pyrrole-2-carboxamide
CAS No: 439120-68-0 Catalog No: AG00IRGV MDL No:MFCD03012364
Product Description
Catalog Number:
AG00IRGV
Chemical Name:
4-(2-ethylbutanoyl)-N-[(pyridin-4-yl)methyl]-1H-pyrrole-2-carboxamide
CAS Number:
439120-68-0
Molecular Formula:
C17H21N3O2
Molecular Weight:
299.3675
MDL Number:
MFCD03012364
IUPAC Name:
4-(2-ethylbutanoyl)-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide
InChI:
InChI=1S/C17H21N3O2/c1-3-13(4-2)16(21)14-9-15(19-11-14)17(22)20-10-12-5-7-18-8-6-12/h5-9,11,13,19H,3-4,10H2,1-2H3,(H,20,22)
InChI Key:
WIDLXWYTPRFWOT-UHFFFAOYSA-N
SMILES:
CCC(C(=O)c1cc([nH]c1)C(=O)NCc1ccncc1)CC
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.163g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.374g/mol
Monoisotopic Mass:
299.163g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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