2,6-dichloro-N-(4-methoxyphenyl)-4-methylpyridine-3-carboxamide

C14H12Cl2N2O2 — CID 685922

IUPAC2,6-dichloro-N-(4-methoxyphenyl)-4-methylpyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)cc(Cl)nc2Cl)cc1
InChIInChI=1S/C14H12Cl2N2O2/c1-8-7-11(15)18-13(16)12(8)14(19)17-9-3-5-10(20-2)6-4-9/h3-7H,1-2H3,(H,17,19)
InChIKeyDKTKUKMHGAPMBZ-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.96
Rot. Bonds3

About 2,6-dichloro-N-(4-methoxyphenyl)-4-methylpyridine-3-carboxamide

2,6-dichloro-N-(4-methoxyphenyl)-4-methylpyridine-3-carboxamide (PubChem CID 685922) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 2,6-dichloro-N-(4-methoxyphenyl)-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(4-methoxyphenyl)-4-methylpyridine-3-carboxamide
PubChem CID685922
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name2,6-dichloro-N-(4-methoxyphenyl)-4-methylpyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)cc(Cl)nc2Cl)cc1
InChIInChI=1S/C14H12Cl2N2O2/c1-8-7-11(15)18-13(16)12(8)14(19)17-9-3-5-10(20-2)6-4-9/h3-7H,1-2H3,(H,17,19)
InChIKeyDKTKUKMHGAPMBZ-UHFFFAOYSA-N
XLogP3.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-((R)-3-{4-[(4-methoxy-phenyl)-(4-methyl-pyridin-3-ylmethyl)-amino]-piperidin-1-yl}-butyl)-4-methyl-nicotinamide
CID 57392303
N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 532821
2-Chloro-N-(4-methoxyphenyl)-3-pyridinecarboxamide
CID 840301
N-[4-(2-Chloro-benzyloxy)-phenyl]-nicotinamide
CID 803928
2,6-dichloro-N-[(3-methoxyphenyl)carbamoyl]-4-methylpyridine-3-carboxamide
CID 1265401
6-chloro-N-[(3R)-3-[4-[4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]anilino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide
CID 57395816
N-(3,5-dichlorophenyl)-2,6-dimethoxypyridine-3-carboxamide
CID 3244364
N-(2,5-dichlorophenyl)-2,6-dimethoxypyridine-3-carboxamide
CID 3244999
6-chloro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 2093491
2,6-Dichloro-N-(4-methoxyphenyl)-4-methyl-5-nitro-3-pyridinecarboxamide
CID 579114
2,4,5,6-tetrachloro-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 1046217
6-Chloro-2-(4-fluorophenoxy)-4-methylpyridine-3-carboxamide
CID 686763

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(4-methoxyphenyl)-4-methylpyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-(4-methoxyphenyl)-4-methylpyridine-3-carboxamide (CID 685922) is 2,6-dichloro-N-(4-methoxyphenyl)-4-methylpyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(4-methoxyphenyl)-4-methylpyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(4-methoxyphenyl)-4-methylpyridine-3-carboxamide is COc1ccc(NC(=O)c2c(C)cc(Cl)nc2Cl)cc1.
What is the InChIKey of 2,6-dichloro-N-(4-methoxyphenyl)-4-methylpyridine-3-carboxamide?
The InChIKey is DKTKUKMHGAPMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c1-8-7-11(15)18-13(16)12(8)14(19)17-9-3-5-10(20-2)6-4-9/h3-7H,1-2H3,(H,17,19).
What are the key properties of 2,6-dichloro-N-(4-methoxyphenyl)-4-methylpyridine-3-carboxamide?
2,6-dichloro-N-(4-methoxyphenyl)-4-methylpyridine-3-carboxamide has a molecular weight of 311.17 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(4-methoxyphenyl)-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 685922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).