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Home > Indoles and Oxindole > 84872-78-6
84872-78-6 | 9H-Pyrido[3,4-b]indole-3-carboxamide, N-(2-methylpropyl)-
CAS No: 84872-78-6 Catalog No: AG004QMU MDL No:
Product Description
Catalog Number:
AG004QMU
Chemical Name:
9H-Pyrido[3,4-b]indole-3-carboxamide, N-(2-methylpropyl)-
CAS Number:
84872-78-6
Molecular Formula:
C16H17N3O
Molecular Weight:
267.3257
IUPAC Name:
N-(2-methylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide
InChI:
InChI=1S/C16H17N3O/c1-10(2)8-18-16(20)14-7-12-11-5-3-4-6-13(11)19-15(12)9-17-14/h3-7,9-10,19H,8H2,1-2H3,(H,18,20)
InChI Key:
RMXSSQAWMOYSLD-UHFFFAOYSA-N
SMILES:
CC(CNC(=O)c1ncc2c(c1)c1ccccc1[nH]2)C
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.137g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
267.332g/mol
Monoisotopic Mass:
267.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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