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

C23H29N3O3 — CID 15993616

IUPAC2-cyclopentyl-N-(3-ethoxypropyl)-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide
SMILESCCOCCCNC(=O)c1cn(C2CCCC2)c(=O)c2c1c1ccccc1n2C
InChIInChI=1S/C23H29N3O3/c1-3-29-14-8-13-24-22(27)18-15-26(16-9-4-5-10-16)23(28)21-20(18)17-11-6-7-12-19(17)25(21)2/h6-7,11-12,15-16H,3-5,8-10,13-14H2,1-2H3,(H,24,27)
InChIKeyCSNLULGDPPYPBD-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.76
Rot. Bonds7

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

2-cyclopentyl-N-(3-ethoxypropyl)-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide (PubChem CID 15993616) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-cyclopentyl-N-(3-ethoxypropyl)-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide.

Molecular Properties

Compound Name2-cyclopentyl-N-(3-ethoxypropyl)-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide
PubChem CID15993616
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-cyclopentyl-N-(3-ethoxypropyl)-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide
SMILESCCOCCCNC(=O)c1cn(C2CCCC2)c(=O)c2c1c1ccccc1n2C
InChIInChI=1S/C23H29N3O3/c1-3-29-14-8-13-24-22(27)18-15-26(16-9-4-5-10-16)23(28)21-20(18)17-11-6-7-12-19(17)25(21)2/h6-7,11-12,15-16H,3-5,8-10,13-14H2,1-2H3,(H,24,27)
InChIKeyCSNLULGDPPYPBD-UHFFFAOYSA-N
XLogP3.76
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-N-(3,3-diethoxypropyl)-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 46251156
2-cyclopentyl-9-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 15997197
2-cyclopentyl-N-[(4-ethylphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 15998477
2-cyclohexyl-9-methyl-1-oxo-N-(pyridin-2-ylmethyl)pyrido[3,4-b]indole-4-carboxamide
CID 20851915
2-cyclopentyl-9-methyl-1-oxo-N-[(1-phenylcyclopentyl)methyl]pyrido[3,4-b]indole-4-carboxamide
CID 20851898
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
N-[2-[butyl(ethyl)amino]ethyl]-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 15988773
N-[2-(3,4-diethoxyphenyl)ethyl]-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 22427379
4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-cyclopentyl-9-methylpyrido[3,4-b]indol-1-one
CID 5322962
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-cyclohexyl-9-methylpyrido[3,4-b]indol-1-one
CID 15990451
4-(cyclopropylmethyl)-N-(3-ethoxypropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361469

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-(3-ethoxypropyl)-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide?
The IUPAC name of 2-cyclopentyl-N-(3-ethoxypropyl)-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide (CID 15993616) is 2-cyclopentyl-N-(3-ethoxypropyl)-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide.
What is the SMILES notation for 2-cyclopentyl-N-(3-ethoxypropyl)-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide?
The canonical SMILES for 2-cyclopentyl-N-(3-ethoxypropyl)-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide is CCOCCCNC(=O)c1cn(C2CCCC2)c(=O)c2c1c1ccccc1n2C.
What is the InChIKey of 2-cyclopentyl-N-(3-ethoxypropyl)-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide?
The InChIKey is CSNLULGDPPYPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-3-29-14-8-13-24-22(27)18-15-26(16-9-4-5-10-16)23(28)21-20(18)17-11-6-7-12-19(17)25(21)2/h6-7,11-12,15-16H,3-5,8-10,13-14H2,1-2H3,(H,24,27).
What are the key properties of 2-cyclopentyl-N-(3-ethoxypropyl)-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide?
2-cyclopentyl-N-(3-ethoxypropyl)-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-(3-ethoxypropyl)-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide is sourced from PubChem (CID 15993616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).