N-cyclopentyl-5-methoxy-4-oxo-1H-pyridine-2-carboxamide

C12H16N2O3 — CID 27448436

IUPACN-cyclopentyl-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
SMILESCOc1c[nH]c(C(=O)NC2CCCC2)cc1=O
InChIInChI=1S/C12H16N2O3/c1-17-11-7-13-9(6-10(11)15)12(16)14-8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H,13,15)(H,14,16)
InChIKeyNPEDZEGUJPUICR-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.06
Rot. Bonds3

About N-cyclopentyl-5-methoxy-4-oxo-1H-pyridine-2-carboxamide

N-cyclopentyl-5-methoxy-4-oxo-1H-pyridine-2-carboxamide (PubChem CID 27448436) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-cyclopentyl-5-methoxy-4-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
PubChem CID27448436
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-cyclopentyl-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
SMILESCOc1c[nH]c(C(=O)NC2CCCC2)cc1=O
InChIInChI=1S/C12H16N2O3/c1-17-11-7-13-9(6-10(11)15)12(16)14-8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H,13,15)(H,14,16)
InChIKeyNPEDZEGUJPUICR-UHFFFAOYSA-N
XLogP1.06
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-methoxy-4-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-cyclopentyl-5-methoxy-4-oxo-1H-pyridine-2-carboxamide (CID 27448436) is N-cyclopentyl-5-methoxy-4-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-methoxy-4-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-cyclopentyl-5-methoxy-4-oxo-1H-pyridine-2-carboxamide is COc1c[nH]c(C(=O)NC2CCCC2)cc1=O.
What is the InChIKey of N-cyclopentyl-5-methoxy-4-oxo-1H-pyridine-2-carboxamide?
The InChIKey is NPEDZEGUJPUICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-17-11-7-13-9(6-10(11)15)12(16)14-8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-cyclopentyl-5-methoxy-4-oxo-1H-pyridine-2-carboxamide?
N-cyclopentyl-5-methoxy-4-oxo-1H-pyridine-2-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-methoxy-4-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 27448436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).