6-methyl-5-[(1-pyridin-3-ylcyclopentyl)carbamoyl]pyridine-3-carboxylic acid

C18H19N3O3 — CID 166291101

IUPAC6-methyl-5-[(1-pyridin-3-ylcyclopentyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCc1ncc(C(=O)O)cc1C(=O)NC1(c2cccnc2)CCCC1
InChIInChI=1S/C18H19N3O3/c1-12-15(9-13(10-20-12)17(23)24)16(22)21-18(6-2-3-7-18)14-5-4-8-19-11-14/h4-5,8-11H,2-3,6-7H2,1H3,(H,21,22)(H,23,24)
InChIKeyAFCCYETXOSJENU-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.68
Rot. Bonds4

About 6-methyl-5-[(1-pyridin-3-ylcyclopentyl)carbamoyl]pyridine-3-carboxylic acid

6-methyl-5-[(1-pyridin-3-ylcyclopentyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 166291101) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 6-methyl-5-[(1-pyridin-3-ylcyclopentyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-5-[(1-pyridin-3-ylcyclopentyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID166291101
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name6-methyl-5-[(1-pyridin-3-ylcyclopentyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCc1ncc(C(=O)O)cc1C(=O)NC1(c2cccnc2)CCCC1
InChIInChI=1S/C18H19N3O3/c1-12-15(9-13(10-20-12)17(23)24)16(22)21-18(6-2-3-7-18)14-5-4-8-19-11-14/h4-5,8-11H,2-3,6-7H2,1H3,(H,21,22)(H,23,24)
InChIKeyAFCCYETXOSJENU-UHFFFAOYSA-N
XLogP2.68
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfanyl-N-(1-phenylcyclopentyl)pyrimidine-5-carboxamide
CID 16672864
N-(1-phenylcyclopentyl)pyrimidine-5-carboxamide
CID 110466935
6-methyl-5-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 146108167
2-methylpyridine-3,5-dicarboxylic acid;dihydrochloride
CID 175154002
methyl 3-[(1-pyridin-3-ylcyclopentyl)carbamothioylamino]benzoate
CID 100769997
2-(dimethylamino)-N-[1-(3-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide
CID 46963770
5-(cyclopropylmethoxycarbamoyl)-6-methylpyridine-3-carboxylic acid
CID 146133446
N-[1-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide
CID 62520732
6-methoxy-2-methyl-N-(1-phenylcyclobutyl)quinoline-3-carboxamide
CID 51111593
[[3-bromo-5-[(1-pyridin-3-ylcyclopropyl)carbamoyl]-1-benzothiophen-2-yl]-difluoromethyl]phosphonic acid
CID 175683187
6-morpholin-4-yl-N-(1-phenylcyclobutyl)pyridine-3-carboxamide
CID 51075067
N-[1-(4-fluorophenyl)cyclopentyl]-2-methoxypyridine-3-carboxamide
CID 60589118

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[(1-pyridin-3-ylcyclopentyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-5-[(1-pyridin-3-ylcyclopentyl)carbamoyl]pyridine-3-carboxylic acid (CID 166291101) is 6-methyl-5-[(1-pyridin-3-ylcyclopentyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-5-[(1-pyridin-3-ylcyclopentyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-5-[(1-pyridin-3-ylcyclopentyl)carbamoyl]pyridine-3-carboxylic acid is Cc1ncc(C(=O)O)cc1C(=O)NC1(c2cccnc2)CCCC1.
What is the InChIKey of 6-methyl-5-[(1-pyridin-3-ylcyclopentyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is AFCCYETXOSJENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12-15(9-13(10-20-12)17(23)24)16(22)21-18(6-2-3-7-18)14-5-4-8-19-11-14/h4-5,8-11H,2-3,6-7H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 6-methyl-5-[(1-pyridin-3-ylcyclopentyl)carbamoyl]pyridine-3-carboxylic acid?
6-methyl-5-[(1-pyridin-3-ylcyclopentyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 325.37 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[(1-pyridin-3-ylcyclopentyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 166291101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).