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

C27H29N3O2 — CID 15998477

IUPAC2-cyclopentyl-N-[(4-ethylphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide
SMILESCCc1ccc(CNC(=O)c2cn(C3CCCC3)c(=O)c3c2c2ccccc2n3C)cc1
InChIInChI=1S/C27H29N3O2/c1-3-18-12-14-19(15-13-18)16-28-26(31)22-17-30(20-8-4-5-9-20)27(32)25-24(22)21-10-6-7-11-23(21)29(25)2/h6-7,10-15,17,20H,3-5,8-9,16H2,1-2H3,(H,28,31)
InChIKeyXLIGKVOFJANTJT-UHFFFAOYSA-N
MW427.55 g/mol
LogP5.10
Rot. Bonds5

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

2-cyclopentyl-N-[(4-ethylphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide (PubChem CID 15998477) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(4-ethylphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(4-ethylphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide
PubChem CID15998477
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC Name2-cyclopentyl-N-[(4-ethylphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide
SMILESCCc1ccc(CNC(=O)c2cn(C3CCCC3)c(=O)c3c2c2ccccc2n3C)cc1
InChIInChI=1S/C27H29N3O2/c1-3-18-12-14-19(15-13-18)16-28-26(31)22-17-30(20-8-4-5-9-20)27(32)25-24(22)21-10-6-7-11-23(21)29(25)2/h6-7,10-15,17,20H,3-5,8-9,16H2,1-2H3,(H,28,31)
InChIKeyXLIGKVOFJANTJT-UHFFFAOYSA-N
XLogP5.10
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-9-methyl-1-oxo-N-(pyridin-2-ylmethyl)pyrido[3,4-b]indole-4-carboxamide
CID 20851915
2-cyclopentyl-N-(3-ethoxypropyl)-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 15993616
2-cyclopentyl-N-(3,3-diethoxypropyl)-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 46251156
2-cyclopentyl-9-methyl-1-oxo-N-[(1-phenylcyclopentyl)methyl]pyrido[3,4-b]indole-4-carboxamide
CID 20851898
2-cyclopentyl-9-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 15997197
2-cyclohexyl-4-(4-ethylpiperazine-1-carbonyl)-9-methylpyrido[3,4-b]indol-1-one
CID 20851918
2-ethyl-N-[(4-methoxyphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 15996697
N-(4-ethylphenyl)-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 15994236
N-(3-chloro-4-methoxyphenyl)-2-cyclohexyl-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 20851904
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-cyclohexyl-9-methylpyrido[3,4-b]indol-1-one
CID 15990451
4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-cyclopentyl-9-methylpyrido[3,4-b]indol-1-one
CID 5322962
N-[(4-ethylphenyl)methyl]-4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]benzamide
CID 50815654

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(4-ethylphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide?
The IUPAC name of 2-cyclopentyl-N-[(4-ethylphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide (CID 15998477) is 2-cyclopentyl-N-[(4-ethylphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide.
What is the SMILES notation for 2-cyclopentyl-N-[(4-ethylphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide?
The canonical SMILES for 2-cyclopentyl-N-[(4-ethylphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide is CCc1ccc(CNC(=O)c2cn(C3CCCC3)c(=O)c3c2c2ccccc2n3C)cc1.
What is the InChIKey of 2-cyclopentyl-N-[(4-ethylphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide?
The InChIKey is XLIGKVOFJANTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-3-18-12-14-19(15-13-18)16-28-26(31)22-17-30(20-8-4-5-9-20)27(32)25-24(22)21-10-6-7-11-23(21)29(25)2/h6-7,10-15,17,20H,3-5,8-9,16H2,1-2H3,(H,28,31).
What are the key properties of 2-cyclopentyl-N-[(4-ethylphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide?
2-cyclopentyl-N-[(4-ethylphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(4-ethylphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide is sourced from PubChem (CID 15998477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).