N-[(1S,3R)-3-aminocyclopentyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide

C13H19N3O2 — CID 74245774

IUPACN-[(1S,3R)-3-aminocyclopentyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide
SMILESCCc1cc(C(=O)N[C@H]2CC[C@@H](N)C2)cc(=O)[nH]1
InChIInChI=1S/C13H19N3O2/c1-2-10-5-8(6-12(17)15-10)13(18)16-11-4-3-9(14)7-11/h5-6,9,11H,2-4,7,14H2,1H3,(H,15,17)(H,16,18)/t9-,11+/m1/s1
InChIKeyHUQYJWJEPDFVSK-KOLCDFICSA-N
MW249.31 g/mol
LogP0.55
Rot. Bonds3

About N-[(1S,3R)-3-aminocyclopentyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide

N-[(1S,3R)-3-aminocyclopentyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 74245774) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[(1S,3R)-3-aminocyclopentyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-aminocyclopentyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide
PubChem CID74245774
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[(1S,3R)-3-aminocyclopentyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide
SMILESCCc1cc(C(=O)N[C@H]2CC[C@@H](N)C2)cc(=O)[nH]1
InChIInChI=1S/C13H19N3O2/c1-2-10-5-8(6-12(17)15-10)13(18)16-11-4-3-9(14)7-11/h5-6,9,11H,2-4,7,14H2,1H3,(H,15,17)(H,16,18)/t9-,11+/m1/s1
InChIKeyHUQYJWJEPDFVSK-KOLCDFICSA-N
XLogP0.55
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-aminocyclopentyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-[(1S,3R)-3-aminocyclopentyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide (CID 74245774) is N-[(1S,3R)-3-aminocyclopentyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S,3R)-3-aminocyclopentyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-[(1S,3R)-3-aminocyclopentyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide is CCc1cc(C(=O)N[C@H]2CC[C@@H](N)C2)cc(=O)[nH]1.
What is the InChIKey of N-[(1S,3R)-3-aminocyclopentyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is HUQYJWJEPDFVSK-KOLCDFICSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-10-5-8(6-12(17)15-10)13(18)16-11-4-3-9(14)7-11/h5-6,9,11H,2-4,7,14H2,1H3,(H,15,17)(H,16,18)/t9-,11+/m1/s1.
What are the key properties of N-[(1S,3R)-3-aminocyclopentyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide?
N-[(1S,3R)-3-aminocyclopentyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-aminocyclopentyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 74245774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).