1-[(3-methylpyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid

C13H16N2O3 — CID 62338755

IUPAC1-[(3-methylpyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1cccnc1C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H16N2O3/c1-9-5-4-8-14-10(9)11(16)15-13(12(17)18)6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyQIETYEDEABXUNN-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.52
Rot. Bonds3

About 1-[(3-methylpyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid

1-[(3-methylpyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 62338755) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-[(3-methylpyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methylpyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID62338755
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-[(3-methylpyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1cccnc1C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H16N2O3/c1-9-5-4-8-14-10(9)11(16)15-13(12(17)18)6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyQIETYEDEABXUNN-UHFFFAOYSA-N
XLogP1.52
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-carbamothioylcyclooctyl)-3-methylpyridine-2-carboxamide
CID 62340478
1-[(3-aminopyridine-2-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 104742633
2-[1-[(3-methylpyridine-2-carbonyl)amino]cyclopentyl]acetic acid
CID 64671017
N-[1-(hydroxymethyl)cyclopropyl]-3-methylpyridine-2-carboxamide
CID 115877759
N-(1-cyanocyclopentyl)-3-methylpyridine-2-carboxamide
CID 55059760
1-[(2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341683
1-[(2-methylsulfanylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43351170
3-methyl-N-(3-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 107422634
N-[(1-aminocyclohexyl)methyl]-3-methylpyridine-2-carboxamide
CID 119404249
1-[(2-methylpyridine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 106752503
2-[(1-carbamoylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid
CID 13474728
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide
CID 103969592

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylpyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(3-methylpyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 62338755) is 1-[(3-methylpyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-methylpyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(3-methylpyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid is Cc1cccnc1C(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(3-methylpyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is QIETYEDEABXUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9-5-4-8-14-10(9)11(16)15-13(12(17)18)6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 1-[(3-methylpyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-[(3-methylpyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylpyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 62338755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).