N-(3-chlorophenyl)-4-isocyano-6-methylpyridine-2-carboxamide

C14H10ClN3O — CID 59479360

IUPACN-(3-chlorophenyl)-4-isocyano-6-methylpyridine-2-carboxamide
SMILES[C-]#[N+]c1cc(C)nc(C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C14H10ClN3O/c1-9-6-12(16-2)8-13(17-9)14(19)18-11-5-3-4-10(15)7-11/h3-8H,1H3,(H,18,19)
InChIKeyZIZNMQGBVMHHMO-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.85
Rot. Bonds2

About N-(3-chlorophenyl)-4-isocyano-6-methylpyridine-2-carboxamide

N-(3-chlorophenyl)-4-isocyano-6-methylpyridine-2-carboxamide (PubChem CID 59479360) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-isocyano-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-isocyano-6-methylpyridine-2-carboxamide
PubChem CID59479360
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC NameN-(3-chlorophenyl)-4-isocyano-6-methylpyridine-2-carboxamide
SMILES[C-]#[N+]c1cc(C)nc(C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C14H10ClN3O/c1-9-6-12(16-2)8-13(17-9)14(19)18-11-5-3-4-10(15)7-11/h3-8H,1H3,(H,18,19)
InChIKeyZIZNMQGBVMHHMO-UHFFFAOYSA-N
XLogP3.85
TPSA46.35 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze N-(3-chlorophenyl)-4-isocyano-6-methylpyridine-2-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-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646
N-(5-chloro-2-pyridinyl)-4-isocyano-6-methylpyridine-2-carboxamide
CID 59479371
N-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109324937
N-(3-chlorophenyl)-6-methyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109336543
N-(3-acetylphenyl)-2-(3-chloroanilino)-6-methylpyrimidine-4-carboxamide
CID 109337049
N-(3-chlorophenyl)-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide
CID 109326853
N-(3-chlorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823088
N-(3-chlorophenyl)-6-methyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109328055
2-N-(3-acetylphenyl)-6-N-(3-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100836
2-(3-chloroanilino)-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337037
N-(3-chlorophenyl)-2-methyl-1H-pyrrole-3-carboxamide
CID 110695775
N-(3-chlorophenyl)-6-methylquinoline-7-carboxamide
CID 142343847

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-isocyano-6-methylpyridine-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-isocyano-6-methylpyridine-2-carboxamide (CID 59479360) is N-(3-chlorophenyl)-4-isocyano-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-isocyano-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-isocyano-6-methylpyridine-2-carboxamide is [C-]#[N+]c1cc(C)nc(C(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of N-(3-chlorophenyl)-4-isocyano-6-methylpyridine-2-carboxamide?
The InChIKey is ZIZNMQGBVMHHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c1-9-6-12(16-2)8-13(17-9)14(19)18-11-5-3-4-10(15)7-11/h3-8H,1H3,(H,18,19).
What are the key properties of N-(3-chlorophenyl)-4-isocyano-6-methylpyridine-2-carboxamide?
N-(3-chlorophenyl)-4-isocyano-6-methylpyridine-2-carboxamide has a molecular weight of 271.71 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-isocyano-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 59479360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).