N-(2-chlorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide

C20H18ClN3O3 — CID 109244385

IUPACN-(2-chlorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2cncc(C(=O)Nc3ccccc3Cl)c2)cc1OC
InChIInChI=1S/C20H18ClN3O3/c1-26-18-8-7-14(10-19(18)27-2)23-15-9-13(11-22-12-15)20(25)24-17-6-4-3-5-16(17)21/h3-12,23H,1-2H3,(H,24,25)
InChIKeyOSHKGXMGBUCKCM-UHFFFAOYSA-N
MW383.84 g/mol
LogP4.75
Rot. Bonds6

About N-(2-chlorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide

N-(2-chlorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide (PubChem CID 109244385) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide
PubChem CID109244385
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC NameN-(2-chlorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2cncc(C(=O)Nc3ccccc3Cl)c2)cc1OC
InChIInChI=1S/C20H18ClN3O3/c1-26-18-8-7-14(10-19(18)27-2)23-15-9-13(11-22-12-15)20(25)24-17-6-4-3-5-16(17)21/h3-12,23H,1-2H3,(H,24,25)
InChIKeyOSHKGXMGBUCKCM-UHFFFAOYSA-N
XLogP4.75
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-5-(2,5-dimethoxyanilino)pyridine-3-carboxamide
CID 109244383
N-(2-chlorophenyl)-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109163378
N-(2-chlorophenyl)-5-(3,5-dimethylanilino)pyridine-3-carboxamide
CID 109243068
5-(2-chloroanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109244426
N-(2,4-difluorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109245690
N-(2-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242131
5-(4-chloroanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 109244615
N-(2-chlorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109244388
N-(4-acetylphenyl)-5-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide
CID 109245028
N-(2-chlorophenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955416
5-N-(2-chlorophenyl)-3-N-[(2-methoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105759
methyl 2-[[5-(3-chloro-4-methylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109244895

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide (CID 109244385) is N-(2-chlorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide is COc1ccc(Nc2cncc(C(=O)Nc3ccccc3Cl)c2)cc1OC.
What is the InChIKey of N-(2-chlorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide?
The InChIKey is OSHKGXMGBUCKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-26-18-8-7-14(10-19(18)27-2)23-15-9-13(11-22-12-15)20(25)24-17-6-4-3-5-16(17)21/h3-12,23H,1-2H3,(H,24,25).
What are the key properties of N-(2-chlorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide?
N-(2-chlorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide has a molecular weight of 383.84 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109244385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).