2-chloro-N-(2-oxobutyl)pyridine-3-carboxamide

C10H11ClN2O2 — CID 174535756

IUPAC2-chloro-N-(2-oxobutyl)pyridine-3-carboxamide
SMILESCCC(=O)CNC(=O)c1cccnc1Cl
InChIInChI=1S/C10H11ClN2O2/c1-2-7(14)6-13-10(15)8-4-3-5-12-9(8)11/h3-5H,2,6H2,1H3,(H,13,15)
InChIKeyAZEMVYUKJVDGCJ-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.44
Rot. Bonds4

About 2-chloro-N-(2-oxobutyl)pyridine-3-carboxamide

2-chloro-N-(2-oxobutyl)pyridine-3-carboxamide (PubChem CID 174535756) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 2-chloro-N-(2-oxobutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-oxobutyl)pyridine-3-carboxamide
PubChem CID174535756
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name2-chloro-N-(2-oxobutyl)pyridine-3-carboxamide
SMILESCCC(=O)CNC(=O)c1cccnc1Cl
InChIInChI=1S/C10H11ClN2O2/c1-2-7(14)6-13-10(15)8-4-3-5-12-9(8)11/h3-5H,2,6H2,1H3,(H,13,15)
InChIKeyAZEMVYUKJVDGCJ-UHFFFAOYSA-N
XLogP1.44
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-ethylpyridine-3-carboxamide
CID 9182570
2-chloro-N-propylpyridine-3-carboxamide
CID 4286757
2-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 31785131
N-[2-(tert-butylamino)-2-oxoethyl]-2-chloropyridine-3-carboxamide
CID 26456826
2-chloro-N-(methoxymethyl)pyridine-3-carboxamide
CID 71433413
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 93419851
2-chloro-N-(2-sulfanylethyl)pyridine-3-carboxamide
CID 170601971
2-chloro-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-carboxamide
CID 55090733
N-(2-benzamidoethyl)-2-chloropyridine-3-carboxamide
CID 38202326
2-chloro-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 53409120
2-chloro-N-[(3R)-3-hydroxybutyl]pyridine-3-carboxamide
CID 86323911
2-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 63306526

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-oxobutyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(2-oxobutyl)pyridine-3-carboxamide (CID 174535756) is 2-chloro-N-(2-oxobutyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-oxobutyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2-oxobutyl)pyridine-3-carboxamide is CCC(=O)CNC(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(2-oxobutyl)pyridine-3-carboxamide?
The InChIKey is AZEMVYUKJVDGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-2-7(14)6-13-10(15)8-4-3-5-12-9(8)11/h3-5H,2,6H2,1H3,(H,13,15).
What are the key properties of 2-chloro-N-(2-oxobutyl)pyridine-3-carboxamide?
2-chloro-N-(2-oxobutyl)pyridine-3-carboxamide has a molecular weight of 226.66 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-oxobutyl)pyridine-3-carboxamide is sourced from PubChem (CID 174535756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).