5-chloro-6-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1H-pyridine-3-carboxamide

C13H19ClN2O2 — CID 125490940

IUPAC5-chloro-6-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1H-pyridine-3-carboxamide
SMILESCCC[C@@H](C)NC(=O)c1cc(Cl)c(CC)[nH]c1=O
InChIInChI=1S/C13H19ClN2O2/c1-4-6-8(3)15-12(17)9-7-10(14)11(5-2)16-13(9)18/h7-8H,4-6H2,1-3H3,(H,15,17)(H,16,18)/t8-/m1/s1
InChIKeyMYZGDRAUWGXPGT-MRVPVSSYSA-N
MW270.76 g/mol
LogP2.51
Rot. Bonds5

About 5-chloro-6-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1H-pyridine-3-carboxamide

5-chloro-6-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1H-pyridine-3-carboxamide (PubChem CID 125490940) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 5-chloro-6-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1H-pyridine-3-carboxamide
PubChem CID125490940
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name5-chloro-6-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1H-pyridine-3-carboxamide
SMILESCCC[C@@H](C)NC(=O)c1cc(Cl)c(CC)[nH]c1=O
InChIInChI=1S/C13H19ClN2O2/c1-4-6-8(3)15-12(17)9-7-10(14)11(5-2)16-13(9)18/h7-8H,4-6H2,1-3H3,(H,15,17)(H,16,18)/t8-/m1/s1
InChIKeyMYZGDRAUWGXPGT-MRVPVSSYSA-N
XLogP2.51
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-5-iodo-2-oxo-N-[(2R)-pentan-2-yl]-1H-pyridine-3-carboxamide
CID 125491217
5-chloro-6-ethyl-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125491261
6-ethyl-N-[(2S)-heptan-2-yl]-5-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125490976
2-oxo-N-pentan-2-yl-1H-quinoline-3-carboxamide
CID 42940320
5-bromo-6-ethyl-N-[(2R)-4-methylpentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 125490531
N-[(2S)-heptan-2-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide
CID 125491124
5-bromo-N-[(2S)-butan-2-yl]-2-oxo-6-propyl-1H-pyridine-3-carboxamide
CID 125490367
6-ethyl-2-oxo-N-pentan-3-yl-5-propyl-1H-pyridine-3-carboxamide
CID 125490211
6-ethyl-N-[(3S)-heptan-3-yl]-5-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125490592
5,6-dimethyl-N-[(2S)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 125490337
5-chloro-2-oxo-N-phenyl-6-propyl-1H-pyridine-3-carboxamide
CID 125490443
5,6-diethyl-2-oxo-N-[(1R)-1-phenylethyl]-1H-pyridine-3-carboxamide
CID 125491409

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1H-pyridine-3-carboxamide (CID 125490940) is 5-chloro-6-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1H-pyridine-3-carboxamide is CCC[C@@H](C)NC(=O)c1cc(Cl)c(CC)[nH]c1=O.
What is the InChIKey of 5-chloro-6-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1H-pyridine-3-carboxamide?
The InChIKey is MYZGDRAUWGXPGT-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-4-6-8(3)15-12(17)9-7-10(14)11(5-2)16-13(9)18/h7-8H,4-6H2,1-3H3,(H,15,17)(H,16,18)/t8-/m1/s1.
What are the key properties of 5-chloro-6-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1H-pyridine-3-carboxamide?
5-chloro-6-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1H-pyridine-3-carboxamide has a molecular weight of 270.76 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 125490940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).