1-cyclopentyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylic acid

C14H20N2O3 — CID 66844529

IUPAC1-cyclopentyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylic acid
SMILESCC(C)Nc1cc(C(=O)O)cn(C2CCCC2)c1=O
InChIInChI=1S/C14H20N2O3/c1-9(2)15-12-7-10(14(18)19)8-16(13(12)17)11-5-3-4-6-11/h7-9,11,15H,3-6H2,1-2H3,(H,18,19)
InChIKeyHITDEUIQJZOLJZ-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.48
Rot. Bonds4

About 1-cyclopentyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylic acid

1-cyclopentyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylic acid (PubChem CID 66844529) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-cyclopentyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylic acid
PubChem CID66844529
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-cyclopentyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylic acid
SMILESCC(C)Nc1cc(C(=O)O)cn(C2CCCC2)c1=O
InChIInChI=1S/C14H20N2O3/c1-9(2)15-12-7-10(14(18)19)8-16(13(12)17)11-5-3-4-6-11/h7-9,11,15H,3-6H2,1-2H3,(H,18,19)
InChIKeyHITDEUIQJZOLJZ-UHFFFAOYSA-N
XLogP2.48
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylic acid?
The IUPAC name of 1-cyclopentyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylic acid (CID 66844529) is 1-cyclopentyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopentyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 1-cyclopentyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylic acid is CC(C)Nc1cc(C(=O)O)cn(C2CCCC2)c1=O.
What is the InChIKey of 1-cyclopentyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylic acid?
The InChIKey is HITDEUIQJZOLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(2)15-12-7-10(14(18)19)8-16(13(12)17)11-5-3-4-6-11/h7-9,11,15H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 1-cyclopentyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylic acid?
1-cyclopentyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 66844529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).