methyl 2-cyclopentyl-6-oxo-1H-pyridine-4-carboxylate

C12H15NO3 — CID 72705016

IUPACmethyl 2-cyclopentyl-6-oxo-1H-pyridine-4-carboxylate
SMILESCOC(=O)c1cc(C2CCCC2)[nH]c(=O)c1
InChIInChI=1S/C12H15NO3/c1-16-12(15)9-6-10(13-11(14)7-9)8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H,13,14)
InChIKeyKFYXHXWIDPBLSD-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.82
Rot. Bonds2

About methyl 2-cyclopentyl-6-oxo-1H-pyridine-4-carboxylate

methyl 2-cyclopentyl-6-oxo-1H-pyridine-4-carboxylate (PubChem CID 72705016) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl 2-cyclopentyl-6-oxo-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-cyclopentyl-6-oxo-1H-pyridine-4-carboxylate
PubChem CID72705016
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Namemethyl 2-cyclopentyl-6-oxo-1H-pyridine-4-carboxylate
SMILESCOC(=O)c1cc(C2CCCC2)[nH]c(=O)c1
InChIInChI=1S/C12H15NO3/c1-16-12(15)9-6-10(13-11(14)7-9)8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H,13,14)
InChIKeyKFYXHXWIDPBLSD-UHFFFAOYSA-N
XLogP1.82
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-cyclopentyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 91608960
methyl 4-cyclopentyl-6-oxo-1H-pyrimidine-2-carboxylate
CID 136729563
methyl 6-cyclopentyl-4-sulfanylidene-1H-pyrimidine-2-carboxylate
CID 106481835
methyl 3-cyclohexylbenzoate
CID 67160762
methyl 4-cyclohexyl-3-methylbenzoate
CID 126540400
methyl 3-cyclopentyl-1-methylindazole-5-carboxylate
CID 171772847
2-cyclopropyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-6-oxo-1H-pyridine-4-carboxamide
CID 127903484
N-[1-(3-chlorophenyl)cyclopentyl]-2-cyclopropyl-6-oxo-1H-pyridine-4-carboxamide
CID 127904097
5-cyclopentyl-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82402063
methyl 5-(4-cyclohexylphenyl)-1H-pyrrole-3-carboxylate
CID 66974561
cyclohexyl 2-ethoxy-6-oxo-1H-pyridine-4-carboxylate
CID 154341465
2-cyclopropyl-N-[1-(4-fluorophenyl)butan-2-yl]-6-oxo-1H-pyridine-4-carboxamide
CID 154842797

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopentyl-6-oxo-1H-pyridine-4-carboxylate?
The IUPAC name of methyl 2-cyclopentyl-6-oxo-1H-pyridine-4-carboxylate (CID 72705016) is methyl 2-cyclopentyl-6-oxo-1H-pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-cyclopentyl-6-oxo-1H-pyridine-4-carboxylate?
The canonical SMILES for methyl 2-cyclopentyl-6-oxo-1H-pyridine-4-carboxylate is COC(=O)c1cc(C2CCCC2)[nH]c(=O)c1.
What is the InChIKey of methyl 2-cyclopentyl-6-oxo-1H-pyridine-4-carboxylate?
The InChIKey is KFYXHXWIDPBLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-16-12(15)9-6-10(13-11(14)7-9)8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H,13,14).
What are the key properties of methyl 2-cyclopentyl-6-oxo-1H-pyridine-4-carboxylate?
methyl 2-cyclopentyl-6-oxo-1H-pyridine-4-carboxylate has a molecular weight of 221.26 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopentyl-6-oxo-1H-pyridine-4-carboxylate is sourced from PubChem (CID 72705016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).