N-(3-cyclopentylpropyl)-1-methyl-2-oxopyridine-4-carboxamide

C15H22N2O2 — CID 38336574

IUPACN-(3-cyclopentylpropyl)-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCCCC2CCCC2)cc1=O
InChIInChI=1S/C15H22N2O2/c1-17-10-8-13(11-14(17)18)15(19)16-9-4-7-12-5-2-3-6-12/h8,10-12H,2-7,9H2,1H3,(H,16,19)
InChIKeyHBHSEZMKBMFJKT-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.09
Rot. Bonds5

About N-(3-cyclopentylpropyl)-1-methyl-2-oxopyridine-4-carboxamide

N-(3-cyclopentylpropyl)-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 38336574) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID38336574
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(3-cyclopentylpropyl)-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCCCC2CCCC2)cc1=O
InChIInChI=1S/C15H22N2O2/c1-17-10-8-13(11-14(17)18)15(19)16-9-4-7-12-5-2-3-6-12/h8,10-12H,2-7,9H2,1H3,(H,16,19)
InChIKeyHBHSEZMKBMFJKT-UHFFFAOYSA-N
XLogP2.09
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-(3-cyclopentylpropyl)-1-methyl-2-oxopyridine-4-carboxamide (CID 38336574) is N-(3-cyclopentylpropyl)-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-1-methyl-2-oxopyridine-4-carboxamide is Cn1ccc(C(=O)NCCCC2CCCC2)cc1=O.
What is the InChIKey of N-(3-cyclopentylpropyl)-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is HBHSEZMKBMFJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17-10-8-13(11-14(17)18)15(19)16-9-4-7-12-5-2-3-6-12/h8,10-12H,2-7,9H2,1H3,(H,16,19).
What are the key properties of N-(3-cyclopentylpropyl)-1-methyl-2-oxopyridine-4-carboxamide?
N-(3-cyclopentylpropyl)-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 38336574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).