methyl 6-(cyclopentylcarbamoyl)pyridine-3-carboxylate

C13H16N2O3 — CID 31939115

IUPACmethyl 6-(cyclopentylcarbamoyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NC2CCCC2)nc1
InChIInChI=1S/C13H16N2O3/c1-18-13(17)9-6-7-11(14-8-9)12(16)15-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,15,16)
InChIKeyMMXLIHGRKSJTRX-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.54
Rot. Bonds3

About methyl 6-(cyclopentylcarbamoyl)pyridine-3-carboxylate

methyl 6-(cyclopentylcarbamoyl)pyridine-3-carboxylate (PubChem CID 31939115) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is methyl 6-(cyclopentylcarbamoyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(cyclopentylcarbamoyl)pyridine-3-carboxylate
PubChem CID31939115
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Namemethyl 6-(cyclopentylcarbamoyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NC2CCCC2)nc1
InChIInChI=1S/C13H16N2O3/c1-18-13(17)9-6-7-11(14-8-9)12(16)15-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,15,16)
InChIKeyMMXLIHGRKSJTRX-UHFFFAOYSA-N
XLogP1.54
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,5-N-dicyclohexylpyridine-2,5-dicarboxamide
CID 5195107
5-carbamothioyl-N-cyclopentylpyridine-2-carboxamide
CID 55230781
N-cyclohexyl-5-[(cyclohexylamino)-cyclopropylidenemethyl]pyridine-2-carboxamide
CID 70888296
methyl 6-(cyclopentylamino)pyridine-3-carboxylate
CID 154654018
methyl 4-[[6-(cyclohexylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109095382
5-(cyclooctylcarbamoyl)pyridine-2-carboxylic acid
CID 43414727
N-cyclobutyl-5-methylpyridine-2-carboxamide
CID 170056265
methyl 6-(3-tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-trienylcarbamoyl)pyridine-3-carboxylate
CID 67390999
methyl 4-chloro-3-[[6-(cyclopentylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109112404
N-cyclopentyl-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109182280
methyl 6-(5,6,6a,7,8,9-hexahydro-4H-phenalen-2-ylcarbamoyl)pyridine-3-carboxylate
CID 67391040
5-carbamothioyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 55229060

Frequently Asked Questions

What is the IUPAC name of methyl 6-(cyclopentylcarbamoyl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(cyclopentylcarbamoyl)pyridine-3-carboxylate (CID 31939115) is methyl 6-(cyclopentylcarbamoyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(cyclopentylcarbamoyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(cyclopentylcarbamoyl)pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)NC2CCCC2)nc1.
What is the InChIKey of methyl 6-(cyclopentylcarbamoyl)pyridine-3-carboxylate?
The InChIKey is MMXLIHGRKSJTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-18-13(17)9-6-7-11(14-8-9)12(16)15-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,15,16).
What are the key properties of methyl 6-(cyclopentylcarbamoyl)pyridine-3-carboxylate?
methyl 6-(cyclopentylcarbamoyl)pyridine-3-carboxylate has a molecular weight of 248.28 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(cyclopentylcarbamoyl)pyridine-3-carboxylate is sourced from PubChem (CID 31939115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).