2-cyclopentyl-9-methyl-1-oxo-N-[(1-phenylcyclopentyl)methyl]pyrido[3,4-b]indole-4-carboxamide

C30H33N3O2 — CID 20851898

IUPAC2-cyclopentyl-9-methyl-1-oxo-N-[(1-phenylcyclopentyl)methyl]pyrido[3,4-b]indole-4-carboxamide
SMILESCn1c2ccccc2c2c(C(=O)NCC3(c4ccccc4)CCCC3)cn(C3CCCC3)c(=O)c21
InChIInChI=1S/C30H33N3O2/c1-32-25-16-8-7-15-23(25)26-24(19-33(29(35)27(26)32)22-13-5-6-14-22)28(34)31-20-30(17-9-10-18-30)21-11-3-2-4-12-21/h2-4,7-8,11-12,15-16,19,22H,5-6,9-10,13-14,17-18,20H2,1H3,(H,31,34)
InChIKeyQXSHNSXCYJLERQ-UHFFFAOYSA-N
MW467.61 g/mol
LogP5.85
Rot. Bonds5

About 2-cyclopentyl-9-methyl-1-oxo-N-[(1-phenylcyclopentyl)methyl]pyrido[3,4-b]indole-4-carboxamide

2-cyclopentyl-9-methyl-1-oxo-N-[(1-phenylcyclopentyl)methyl]pyrido[3,4-b]indole-4-carboxamide (PubChem CID 20851898) has the molecular formula C30H33N3O2 and a molecular weight of 467.61 g/mol. Its IUPAC name is 2-cyclopentyl-9-methyl-1-oxo-N-[(1-phenylcyclopentyl)methyl]pyrido[3,4-b]indole-4-carboxamide.

Molecular Properties

Compound Name2-cyclopentyl-9-methyl-1-oxo-N-[(1-phenylcyclopentyl)methyl]pyrido[3,4-b]indole-4-carboxamide
PubChem CID20851898
Molecular FormulaC30H33N3O2
Molecular Weight467.61 g/mol
Exact Mass467.26
IUPAC Name2-cyclopentyl-9-methyl-1-oxo-N-[(1-phenylcyclopentyl)methyl]pyrido[3,4-b]indole-4-carboxamide
SMILESCn1c2ccccc2c2c(C(=O)NCC3(c4ccccc4)CCCC3)cn(C3CCCC3)c(=O)c21
InChIInChI=1S/C30H33N3O2/c1-32-25-16-8-7-15-23(25)26-24(19-33(29(35)27(26)32)22-13-5-6-14-22)28(34)31-20-30(17-9-10-18-30)21-11-3-2-4-12-21/h2-4,7-8,11-12,15-16,19,22H,5-6,9-10,13-14,17-18,20H2,1H3,(H,31,34)
InChIKeyQXSHNSXCYJLERQ-UHFFFAOYSA-N
XLogP5.85
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.61
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopentyl-9-methyl-1-oxo-N-[(1-phenylcyclopentyl)methyl]pyrido[3,4-b]indole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-cyclopentyl-N-(3-ethoxypropyl)-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 15993616
2-cyclohexyl-9-methyl-1-oxo-N-(pyridin-2-ylmethyl)pyrido[3,4-b]indole-4-carboxamide
CID 20851915
2-cyclopentyl-9-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 15997197
1-methyl-2-oxo-N-[(1-phenylcyclopentyl)methyl]quinoline-4-carboxamide
CID 55759441
2-cyclohexyl-4-(4-ethylpiperazine-1-carbonyl)-9-methylpyrido[3,4-b]indol-1-one
CID 20851918
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
3-N-cyclohexyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-5-N-[(1-phenylcyclopentyl)methyl]pyridine-3,5-dicarboxamide
CID 28810026
2-chloro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 847347
1-benzyl-5-N-ethyl-4-oxo-3-N-[(1-phenylcyclohexyl)methyl]pyridine-3,5-dicarboxamide
CID 26403133
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 18133804

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-9-methyl-1-oxo-N-[(1-phenylcyclopentyl)methyl]pyrido[3,4-b]indole-4-carboxamide?
The IUPAC name of 2-cyclopentyl-9-methyl-1-oxo-N-[(1-phenylcyclopentyl)methyl]pyrido[3,4-b]indole-4-carboxamide (CID 20851898) is 2-cyclopentyl-9-methyl-1-oxo-N-[(1-phenylcyclopentyl)methyl]pyrido[3,4-b]indole-4-carboxamide.
What is the SMILES notation for 2-cyclopentyl-9-methyl-1-oxo-N-[(1-phenylcyclopentyl)methyl]pyrido[3,4-b]indole-4-carboxamide?
The canonical SMILES for 2-cyclopentyl-9-methyl-1-oxo-N-[(1-phenylcyclopentyl)methyl]pyrido[3,4-b]indole-4-carboxamide is Cn1c2ccccc2c2c(C(=O)NCC3(c4ccccc4)CCCC3)cn(C3CCCC3)c(=O)c21.
What is the InChIKey of 2-cyclopentyl-9-methyl-1-oxo-N-[(1-phenylcyclopentyl)methyl]pyrido[3,4-b]indole-4-carboxamide?
The InChIKey is QXSHNSXCYJLERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O2/c1-32-25-16-8-7-15-23(25)26-24(19-33(29(35)27(26)32)22-13-5-6-14-22)28(34)31-20-30(17-9-10-18-30)21-11-3-2-4-12-21/h2-4,7-8,11-12,15-16,19,22H,5-6,9-10,13-14,17-18,20H2,1H3,(H,31,34).
What are the key properties of 2-cyclopentyl-9-methyl-1-oxo-N-[(1-phenylcyclopentyl)methyl]pyrido[3,4-b]indole-4-carboxamide?
2-cyclopentyl-9-methyl-1-oxo-N-[(1-phenylcyclopentyl)methyl]pyrido[3,4-b]indole-4-carboxamide has a molecular weight of 467.61 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-9-methyl-1-oxo-N-[(1-phenylcyclopentyl)methyl]pyrido[3,4-b]indole-4-carboxamide is sourced from PubChem (CID 20851898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).