2-(3-chloroanilino)-4,6-dimethylpyridine-3-carboxamide

C14H14ClN3O — CID 764200

IUPAC2-(3-chloroanilino)-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(N)=O)c(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C14H14ClN3O/c1-8-6-9(2)17-14(12(8)13(16)19)18-11-5-3-4-10(15)7-11/h3-7H,1-2H3,(H2,16,19)(H,17,18)
InChIKeyHXGRENUTXXGSAX-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.19
Rot. Bonds3

About 2-(3-chloroanilino)-4,6-dimethylpyridine-3-carboxamide

2-(3-chloroanilino)-4,6-dimethylpyridine-3-carboxamide (PubChem CID 764200) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-(3-chloroanilino)-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3-chloroanilino)-4,6-dimethylpyridine-3-carboxamide
PubChem CID764200
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name2-(3-chloroanilino)-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(N)=O)c(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C14H14ClN3O/c1-8-6-9(2)17-14(12(8)13(16)19)18-11-5-3-4-10(15)7-11/h3-7H,1-2H3,(H2,16,19)(H,17,18)
InChIKeyHXGRENUTXXGSAX-UHFFFAOYSA-N
XLogP3.19
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-chloroanilino)-4,6-dimethylpyridine-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

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-(3-chloroanilino)-4,6-dimethylpyridine-3-carboxamide (CID 764200) is 2-(3-chloroanilino)-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-(3-chloroanilino)-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-(3-chloroanilino)-4,6-dimethylpyridine-3-carboxamide is Cc1cc(C)c(C(N)=O)c(Nc2cccc(Cl)c2)n1.
What is the InChIKey of 2-(3-chloroanilino)-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is HXGRENUTXXGSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-8-6-9(2)17-14(12(8)13(16)19)18-11-5-3-4-10(15)7-11/h3-7H,1-2H3,(H2,16,19)(H,17,18).
What are the key properties of 2-(3-chloroanilino)-4,6-dimethylpyridine-3-carboxamide?
2-(3-chloroanilino)-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 764200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).