N-(4-amino-4-oxobutan-2-yl)-6-chloropyridine-3-carboxamide

C10H12ClN3O2 — CID 115664808

IUPACN-(4-amino-4-oxobutan-2-yl)-6-chloropyridine-3-carboxamide
SMILESCC(CC(N)=O)NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C10H12ClN3O2/c1-6(4-9(12)15)14-10(16)7-2-3-8(11)13-5-7/h2-3,5-6H,4H2,1H3,(H2,12,15)(H,14,16)
InChIKeyRPPOJHJJEREUJW-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.73
Rot. Bonds4

About N-(4-amino-4-oxobutan-2-yl)-6-chloropyridine-3-carboxamide

N-(4-amino-4-oxobutan-2-yl)-6-chloropyridine-3-carboxamide (PubChem CID 115664808) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is N-(4-amino-4-oxobutan-2-yl)-6-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutan-2-yl)-6-chloropyridine-3-carboxamide
PubChem CID115664808
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC NameN-(4-amino-4-oxobutan-2-yl)-6-chloropyridine-3-carboxamide
SMILESCC(CC(N)=O)NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C10H12ClN3O2/c1-6(4-9(12)15)14-10(16)7-2-3-8(11)13-5-7/h2-3,5-6H,4H2,1H3,(H2,12,15)(H,14,16)
InChIKeyRPPOJHJJEREUJW-UHFFFAOYSA-N
XLogP0.73
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-amino-4-oxobutan-2-yl)-6-chloropyridine-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-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-3-carboxamide
CID 115674679
4-amino-2-[(6-chloropyridine-3-carbonyl)amino]-4-oxobutanoic acid
CID 43240154
6-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-3-carboxamide
CID 115673226
6-chloro-N-[(2S)-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 28880213
6-chloro-N-[(2R)-5-(diethylamino)pentan-2-yl]pyridine-3-carboxamide
CID 38988276
N-(4-amino-4-oxobutan-2-yl)-4-sulfanylbenzamide
CID 107035767
methyl (2R)-2-[(6-chloropyridine-3-carbonyl)amino]-4-methylpentanoate
CID 51681559
2-[(6-chloropyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 43091866
N-(4-amino-4-oxobutan-2-yl)benzamide
CID 47112685
6-chloro-N-[1-(diethylamino)ethyl]pyridine-3-carboxamide;hydrochloride
CID 88751278
6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 9218589
6-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 113406887

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutan-2-yl)-6-chloropyridine-3-carboxamide?
The IUPAC name of N-(4-amino-4-oxobutan-2-yl)-6-chloropyridine-3-carboxamide (CID 115664808) is N-(4-amino-4-oxobutan-2-yl)-6-chloropyridine-3-carboxamide.
What is the SMILES notation for N-(4-amino-4-oxobutan-2-yl)-6-chloropyridine-3-carboxamide?
The canonical SMILES for N-(4-amino-4-oxobutan-2-yl)-6-chloropyridine-3-carboxamide is CC(CC(N)=O)NC(=O)c1ccc(Cl)nc1.
What is the InChIKey of N-(4-amino-4-oxobutan-2-yl)-6-chloropyridine-3-carboxamide?
The InChIKey is RPPOJHJJEREUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-6(4-9(12)15)14-10(16)7-2-3-8(11)13-5-7/h2-3,5-6H,4H2,1H3,(H2,12,15)(H,14,16).
What are the key properties of N-(4-amino-4-oxobutan-2-yl)-6-chloropyridine-3-carboxamide?
N-(4-amino-4-oxobutan-2-yl)-6-chloropyridine-3-carboxamide has a molecular weight of 241.68 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-oxobutan-2-yl)-6-chloropyridine-3-carboxamide is sourced from PubChem (CID 115664808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).