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89508-06-5 | 9H-Pyrido[3,4-b]indole-3-carboxamide, N-(1-ethylpropyl)-
CAS No: 89508-06-5 Catalog No: AG00413M MDL No:
Product Description
Catalog Number:
AG00413M
Chemical Name:
9H-Pyrido[3,4-b]indole-3-carboxamide, N-(1-ethylpropyl)-
CAS Number:
89508-06-5
Molecular Formula:
C17H19N3O
Molecular Weight:
281.3523
IUPAC Name:
N-pentan-3-yl-9H-pyrido[3,4-b]indole-3-carboxamide
InChI:
InChI=1S/C17H19N3O/c1-3-11(4-2)19-17(21)15-9-13-12-7-5-6-8-14(12)20-16(13)10-18-15/h5-11,20H,3-4H2,1-2H3,(H,19,21)
InChI Key:
CMPDDPMTTGXSGO-UHFFFAOYSA-N
SMILES:
CCC(NC(=O)c1ncc2c(c1)c1ccccc1[nH]2)CC
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.153g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.359g/mol
Monoisotopic Mass:
281.153g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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