2-(cyclopentylmethyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]pyridine-4-carboxamide

C24H28N2O2 — CID 58328231

IUPAC2-(cyclopentylmethyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]pyridine-4-carboxamide
SMILESCc1ccc(C(=O)CC2CC2)cc1NC(=O)c1ccnc(CC2CCCC2)c1
InChIInChI=1S/C24H28N2O2/c1-16-6-9-19(23(27)13-18-7-8-18)15-22(16)26-24(28)20-10-11-25-21(14-20)12-17-4-2-3-5-17/h6,9-11,14-15,17-18H,2-5,7-8,12-13H2,1H3,(H,26,28)
InChIKeyXFUUNRXEOGUUTB-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.36
Rot. Bonds7

About 2-(cyclopentylmethyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]pyridine-4-carboxamide

2-(cyclopentylmethyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]pyridine-4-carboxamide (PubChem CID 58328231) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]pyridine-4-carboxamide
PubChem CID58328231
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name2-(cyclopentylmethyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]pyridine-4-carboxamide
SMILESCc1ccc(C(=O)CC2CC2)cc1NC(=O)c1ccnc(CC2CCCC2)c1
InChIInChI=1S/C24H28N2O2/c1-16-6-9-19(23(27)13-18-7-8-18)15-22(16)26-24(28)20-10-11-25-21(14-20)12-17-4-2-3-5-17/h6,9-11,14-15,17-18H,2-5,7-8,12-13H2,1H3,(H,26,28)
InChIKeyXFUUNRXEOGUUTB-UHFFFAOYSA-N
XLogP5.36
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-1-(2-methyl-4-pyridinyl)ethanone
CID 106754594
2-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyridine-4-carboxamide
CID 47047663
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-(propylamino)pyridine-4-carboxamide
CID 59761490
N-(2-cyclopentylethyl)-2-(hydroxymethyl)pyridine-4-carboxamide
CID 115116140
4-N-(5-chloro-2-methylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080959
N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(2,4-dimethylphenyl)thiophene-2-carboxamide
CID 58328257
3-[(2-cyclopentylacetyl)amino]-4-methyl-N-(2-methylsulfonylethyl)benzamide
CID 172665679
N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]thiophene-2-carboxamide
CID 58328209
N-[5-(3-cyclohexylpropanoylamino)-2-methylphenyl]quinoxaline-6-carboxamide
CID 22057992
2-N-cycloheptyl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109089442
methyl N-[[4-[(2,5-dimethylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112520824
3-[[(2S)-2-amino-3-cyclohexylpropanoyl]amino]-N,4-dimethylbenzamide
CID 146143095

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(cyclopentylmethyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]pyridine-4-carboxamide (CID 58328231) is 2-(cyclopentylmethyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(cyclopentylmethyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(cyclopentylmethyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]pyridine-4-carboxamide is Cc1ccc(C(=O)CC2CC2)cc1NC(=O)c1ccnc(CC2CCCC2)c1.
What is the InChIKey of 2-(cyclopentylmethyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]pyridine-4-carboxamide?
The InChIKey is XFUUNRXEOGUUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-16-6-9-19(23(27)13-18-7-8-18)15-22(16)26-24(28)20-10-11-25-21(14-20)12-17-4-2-3-5-17/h6,9-11,14-15,17-18H,2-5,7-8,12-13H2,1H3,(H,26,28).
What are the key properties of 2-(cyclopentylmethyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]pyridine-4-carboxamide?
2-(cyclopentylmethyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]pyridine-4-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 58328231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).