N-benzyl-N,2,9-trimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide

C22H21N3O2 — CID 126458147

IUPACN-benzyl-N,2,9-trimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cn(C)c(=O)c2c1c1ccccc1n2C
InChIInChI=1S/C22H21N3O2/c1-23(13-15-9-5-4-6-10-15)21(26)17-14-24(2)22(27)20-19(17)16-11-7-8-12-18(16)25(20)3/h4-12,14H,13H2,1-3H3
InChIKeyFZZVIUPQIBGMCO-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.30
Rot. Bonds3

About N-benzyl-N,2,9-trimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide

N-benzyl-N,2,9-trimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide (PubChem CID 126458147) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-benzyl-N,2,9-trimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N,2,9-trimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide
PubChem CID126458147
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-benzyl-N,2,9-trimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cn(C)c(=O)c2c1c1ccccc1n2C
InChIInChI=1S/C22H21N3O2/c1-23(13-15-9-5-4-6-10-15)21(26)17-14-24(2)22(27)20-19(17)16-11-7-8-12-18(16)25(20)3/h4-12,14H,13H2,1-3H3
InChIKeyFZZVIUPQIBGMCO-UHFFFAOYSA-N
XLogP3.30
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-(4-methoxyphenyl)-N,5-dimethyl-4-oxopyridazino[4,5-b]indole-1-carboxamide
CID 6619574
N-(4-ethylphenyl)-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 15994236
4-(azepane-1-carbonyl)-2,9-dimethylpyrido[3,4-b]indol-1-one
CID 4991801
N-[2-(3,4-diethoxyphenyl)ethyl]-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 22427379
N-benzyl-N,1-dimethylindazole-3-carboxamide
CID 110851100
N-benzyl-N,1,2,5-tetramethylpyrrole-3-carboxamide
CID 110691243
N-benzyl-N-cyclopropyl-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 171682087
N-benzyl-1-methyl-N-propan-2-ylindole-3-carboxamide
CID 113205582
N-benzyl-N,3-dimethylimidazole-4-carboxamide
CID 110851099
N-benzyl-N,1-dimethyl-3-methylsulfanylpyrazole-4-carboxamide
CID 75399076
N-benzyl-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 2977763
N-benzyl-N-methyl-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46356937

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,2,9-trimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide?
The IUPAC name of N-benzyl-N,2,9-trimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide (CID 126458147) is N-benzyl-N,2,9-trimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide.
What is the SMILES notation for N-benzyl-N,2,9-trimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide?
The canonical SMILES for N-benzyl-N,2,9-trimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide is CN(Cc1ccccc1)C(=O)c1cn(C)c(=O)c2c1c1ccccc1n2C.
What is the InChIKey of N-benzyl-N,2,9-trimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide?
The InChIKey is FZZVIUPQIBGMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-23(13-15-9-5-4-6-10-15)21(26)17-14-24(2)22(27)20-19(17)16-11-7-8-12-18(16)25(20)3/h4-12,14H,13H2,1-3H3.
What are the key properties of N-benzyl-N,2,9-trimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide?
N-benzyl-N,2,9-trimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,2,9-trimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide is sourced from PubChem (CID 126458147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).