methyl 1-cyclopentyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylate

C15H22N2O3 — CID 66845520

IUPACmethyl 1-cyclopentyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(NC(C)C)c(=O)n(C2CCCC2)c1
InChIInChI=1S/C15H22N2O3/c1-10(2)16-13-8-11(15(19)20-3)9-17(14(13)18)12-6-4-5-7-12/h8-10,12,16H,4-7H2,1-3H3
InChIKeyHGFFHVSSIOQZEB-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.57
Rot. Bonds4

About methyl 1-cyclopentyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylate

methyl 1-cyclopentyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylate (PubChem CID 66845520) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 1-cyclopentyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-cyclopentyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylate
PubChem CID66845520
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 1-cyclopentyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(NC(C)C)c(=O)n(C2CCCC2)c1
InChIInChI=1S/C15H22N2O3/c1-10(2)16-13-8-11(15(19)20-3)9-17(14(13)18)12-6-4-5-7-12/h8-10,12,16H,4-7H2,1-3H3
InChIKeyHGFFHVSSIOQZEB-UHFFFAOYSA-N
XLogP2.57
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-cyclopentyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylate?
The IUPAC name of methyl 1-cyclopentyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylate (CID 66845520) is methyl 1-cyclopentyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylate.
What is the SMILES notation for methyl 1-cyclopentyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylate?
The canonical SMILES for methyl 1-cyclopentyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylate is COC(=O)c1cc(NC(C)C)c(=O)n(C2CCCC2)c1.
What is the InChIKey of methyl 1-cyclopentyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylate?
The InChIKey is HGFFHVSSIOQZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(2)16-13-8-11(15(19)20-3)9-17(14(13)18)12-6-4-5-7-12/h8-10,12,16H,4-7H2,1-3H3.
What are the key properties of methyl 1-cyclopentyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylate?
methyl 1-cyclopentyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-cyclopentyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylate is sourced from PubChem (CID 66845520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).