N-butan-2-yl-5-chloro-2-oxo-1H-pyridine-3-carboxamide

C10H13ClN2O2 — CID 110848497

IUPACN-butan-2-yl-5-chloro-2-oxo-1H-pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cc(Cl)c[nH]c1=O
InChIInChI=1S/C10H13ClN2O2/c1-3-6(2)13-10(15)8-4-7(11)5-12-9(8)14/h4-6H,3H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyXGGXMUGSFLQMLH-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.56
Rot. Bonds3

About N-butan-2-yl-5-chloro-2-oxo-1H-pyridine-3-carboxamide

N-butan-2-yl-5-chloro-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 110848497) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is N-butan-2-yl-5-chloro-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-chloro-2-oxo-1H-pyridine-3-carboxamide
PubChem CID110848497
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC NameN-butan-2-yl-5-chloro-2-oxo-1H-pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cc(Cl)c[nH]c1=O
InChIInChI=1S/C10H13ClN2O2/c1-3-6(2)13-10(15)8-4-7(11)5-12-9(8)14/h4-6H,3H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyXGGXMUGSFLQMLH-UHFFFAOYSA-N
XLogP1.56
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-butan-2-yl-5-chloro-2-oxo-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-6-chloro-1H-indole-3-carboxamide
CID 113206344
N-tert-butyl-5-chloro-2-oxo-1H-pyridine-3-carboxamide
CID 110855396
5-chloro-2-oxo-1H-pyridine-3-carbonyl chloride
CID 45081691
N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide
CID 848311
5-bromo-N-[(2S)-butan-2-yl]-2-oxo-6-propyl-1H-pyridine-3-carboxamide
CID 125490367
5-chloro-N,N-diethyl-2-oxo-1H-pyridine-3-carboxamide
CID 110855176
5-chloro-2-oxo-N-(4-propan-2-yloxyphenyl)-1H-pyridine-3-carboxamide
CID 110860456
N-butan-2-yl-3-oxo-1,2-oxazole-4-carboxamide
CID 123972436
N-butan-2-yl-1H-indole-3-carboxamide
CID 43399203
5-bromo-N-[(2S)-butan-2-yl]-2-chlorobenzamide
CID 93417126
5-bromo-N-butan-2-yl-2-chlorobenzamide
CID 60629191
N-butan-2-yl-2-chloro-5-fluorobenzamide
CID 129166839

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-chloro-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-butan-2-yl-5-chloro-2-oxo-1H-pyridine-3-carboxamide (CID 110848497) is N-butan-2-yl-5-chloro-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-chloro-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-5-chloro-2-oxo-1H-pyridine-3-carboxamide is CCC(C)NC(=O)c1cc(Cl)c[nH]c1=O.
What is the InChIKey of N-butan-2-yl-5-chloro-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is XGGXMUGSFLQMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-3-6(2)13-10(15)8-4-7(11)5-12-9(8)14/h4-6H,3H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of N-butan-2-yl-5-chloro-2-oxo-1H-pyridine-3-carboxamide?
N-butan-2-yl-5-chloro-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 228.68 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-chloro-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 110848497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).