N-[3-chloro-4-(propanoylamino)phenyl]-2-methoxypyridine-3-carboxamide

C16H16ClN3O3 — CID 50968912

IUPACN-[3-chloro-4-(propanoylamino)phenyl]-2-methoxypyridine-3-carboxamide
SMILESCCC(=O)Nc1ccc(NC(=O)c2cccnc2OC)cc1Cl
InChIInChI=1S/C16H16ClN3O3/c1-3-14(21)20-13-7-6-10(9-12(13)17)19-15(22)11-5-4-8-18-16(11)23-2/h4-9H,3H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyQXOXEODGZNFOJR-UHFFFAOYSA-N
MW333.78 g/mol
LogP3.34
Rot. Bonds5

About N-[3-chloro-4-(propanoylamino)phenyl]-2-methoxypyridine-3-carboxamide

N-[3-chloro-4-(propanoylamino)phenyl]-2-methoxypyridine-3-carboxamide (PubChem CID 50968912) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is N-[3-chloro-4-(propanoylamino)phenyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(propanoylamino)phenyl]-2-methoxypyridine-3-carboxamide
PubChem CID50968912
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC NameN-[3-chloro-4-(propanoylamino)phenyl]-2-methoxypyridine-3-carboxamide
SMILESCCC(=O)Nc1ccc(NC(=O)c2cccnc2OC)cc1Cl
InChIInChI=1S/C16H16ClN3O3/c1-3-14(21)20-13-7-6-10(9-12(13)17)19-15(22)11-5-4-8-18-16(11)23-2/h4-9H,3H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyQXOXEODGZNFOJR-UHFFFAOYSA-N
XLogP3.34
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-chloro-4-(propanoylamino)phenyl]-2-methoxypyridine-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-(3,4-dimethoxyphenyl)-2-methoxypyridine-3-carboxamide
CID 84580737
N-[3-(chloromethyl)phenyl]-2-methoxypyridine-3-carboxamide
CID 113270952
N-(2,6-dichlorophenyl)-2-methoxypyridine-3-carboxamide
CID 110864324
2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]pyridine-3-carboxamide
CID 134002839
N-[4-(2-chloroethyl)phenyl]-2-methoxypyridine-3-carboxamide
CID 114299271
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methoxypyridine-3-carboxamide
CID 39983441
N-[4-(2-hydroxyethyl)phenyl]-2-methoxypyridine-3-carboxamide
CID 61223971
2-methoxy-N-(2-methylbenzotriazol-5-yl)pyridine-3-carboxamide
CID 155909000
N-(3,4-dichlorophenyl)-2-(4-methoxyanilino)pyridine-3-carboxamide
CID 23632726
N-(3,4-dichlorophenyl)-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 23632728
N-(3-cyanophenyl)-2-methoxypyridine-3-carboxamide
CID 55023858
2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860867

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(propanoylamino)phenyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[3-chloro-4-(propanoylamino)phenyl]-2-methoxypyridine-3-carboxamide (CID 50968912) is N-[3-chloro-4-(propanoylamino)phenyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(propanoylamino)phenyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[3-chloro-4-(propanoylamino)phenyl]-2-methoxypyridine-3-carboxamide is CCC(=O)Nc1ccc(NC(=O)c2cccnc2OC)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(propanoylamino)phenyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is QXOXEODGZNFOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c1-3-14(21)20-13-7-6-10(9-12(13)17)19-15(22)11-5-4-8-18-16(11)23-2/h4-9H,3H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[3-chloro-4-(propanoylamino)phenyl]-2-methoxypyridine-3-carboxamide?
N-[3-chloro-4-(propanoylamino)phenyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 333.78 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(propanoylamino)phenyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 50968912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).