N-(4-ethylphenyl)-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide

C22H21N3O2 — CID 15994236

IUPACN-(4-ethylphenyl)-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide
SMILESCCc1ccc(NC(=O)c2cn(C)c(=O)c3c2c2ccccc2n3C)cc1
InChIInChI=1S/C22H21N3O2/c1-4-14-9-11-15(12-10-14)23-21(26)17-13-24(2)22(27)20-19(17)16-7-5-6-8-18(16)25(20)3/h5-13H,4H2,1-3H3,(H,23,26)
InChIKeyLOSQLNBXYUZTQR-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.84
Rot. Bonds3

About N-(4-ethylphenyl)-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide

N-(4-ethylphenyl)-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide (PubChem CID 15994236) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide
PubChem CID15994236
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-(4-ethylphenyl)-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide
SMILESCCc1ccc(NC(=O)c2cn(C)c(=O)c3c2c2ccccc2n3C)cc1
InChIInChI=1S/C22H21N3O2/c1-4-14-9-11-15(12-10-14)23-21(26)17-13-24(2)22(27)20-19(17)16-7-5-6-8-18(16)25(20)3/h5-13H,4H2,1-3H3,(H,23,26)
InChIKeyLOSQLNBXYUZTQR-UHFFFAOYSA-N
XLogP3.84
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-N-[(4-ethylphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 15998477
N-[2-(3,4-diethoxyphenyl)ethyl]-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 22427379
N-(4-ethylphenyl)-1,3-dimethylindole-2-carboxamide
CID 113204429
N-[2-[butyl(ethyl)amino]ethyl]-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 15988773
N-benzyl-N,2,9-trimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 126458147
4-(azepane-1-carbonyl)-2,9-dimethylpyrido[3,4-b]indol-1-one
CID 4991801
2-ethyl-N-[(4-methoxyphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 15996697
1-methyl-N-[4-(propanoylamino)phenyl]indole-3-carboxamide
CID 47068134
N-(3-ethylphenyl)-5-methyl-3-(4-methylphenyl)-4-oxopyridazino[4,5-b]indole-1-carboxamide
CID 15992704
1-methyl-N-phenylindole-3-carboxamide
CID 9038340
methyl 4-[(2-methyl-1-oxoisoquinoline-4-carbonyl)amino]benzoate
CID 52905404
N-(4-ethylphenyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
CID 54736636

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide (CID 15994236) is N-(4-ethylphenyl)-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide is CCc1ccc(NC(=O)c2cn(C)c(=O)c3c2c2ccccc2n3C)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide?
The InChIKey is LOSQLNBXYUZTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-4-14-9-11-15(12-10-14)23-21(26)17-13-24(2)22(27)20-19(17)16-7-5-6-8-18(16)25(20)3/h5-13H,4H2,1-3H3,(H,23,26).
What are the key properties of N-(4-ethylphenyl)-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide?
N-(4-ethylphenyl)-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide is sourced from PubChem (CID 15994236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).