N-(2-chlorophenyl)-5-(3,5-dimethylanilino)pyridine-3-carboxamide

C20H18ClN3O — CID 109243068

IUPACN-(2-chlorophenyl)-5-(3,5-dimethylanilino)pyridine-3-carboxamide
SMILESCc1cc(C)cc(Nc2cncc(C(=O)Nc3ccccc3Cl)c2)c1
InChIInChI=1S/C20H18ClN3O/c1-13-7-14(2)9-16(8-13)23-17-10-15(11-22-12-17)20(25)24-19-6-4-3-5-18(19)21/h3-12,23H,1-2H3,(H,24,25)
InChIKeyUROFSWLMASOTSN-UHFFFAOYSA-N
MW351.84 g/mol
LogP5.35
Rot. Bonds4

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

N-(2-chlorophenyl)-5-(3,5-dimethylanilino)pyridine-3-carboxamide (PubChem CID 109243068) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-(3,5-dimethylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-(3,5-dimethylanilino)pyridine-3-carboxamide
PubChem CID109243068
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC NameN-(2-chlorophenyl)-5-(3,5-dimethylanilino)pyridine-3-carboxamide
SMILESCc1cc(C)cc(Nc2cncc(C(=O)Nc3ccccc3Cl)c2)c1
InChIInChI=1S/C20H18ClN3O/c1-13-7-14(2)9-16(8-13)23-17-10-15(11-22-12-17)20(25)24-19-6-4-3-5-18(19)21/h3-12,23H,1-2H3,(H,24,25)
InChIKeyUROFSWLMASOTSN-UHFFFAOYSA-N
XLogP5.35
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.84
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(2-chlorophenyl)-3-N-(3-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107934
5-(3,5-dimethylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109243078
N-(2-chlorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109244385
N-(2-chlorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109244388
5-N-(2-chlorophenyl)-3-N-phenylpyridine-3,5-dicarboxamide
CID 109107777
5-(4-bromoanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109243019
N-(2-chlorophenyl)-5-(2,5-dimethoxyanilino)pyridine-3-carboxamide
CID 109244383
5-(2,6-dimethylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109243006
5-(3,5-dichloroanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241902
5-(benzylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 109231871
5-(2-chloroanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109244426
5-N-(2-chlorophenyl)-3-N-propylpyridine-3,5-dicarboxamide
CID 109101245

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-(3,5-dimethylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-5-(3,5-dimethylanilino)pyridine-3-carboxamide (CID 109243068) is N-(2-chlorophenyl)-5-(3,5-dimethylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-5-(3,5-dimethylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-5-(3,5-dimethylanilino)pyridine-3-carboxamide is Cc1cc(C)cc(Nc2cncc(C(=O)Nc3ccccc3Cl)c2)c1.
What is the InChIKey of N-(2-chlorophenyl)-5-(3,5-dimethylanilino)pyridine-3-carboxamide?
The InChIKey is UROFSWLMASOTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c1-13-7-14(2)9-16(8-13)23-17-10-15(11-22-12-17)20(25)24-19-6-4-3-5-18(19)21/h3-12,23H,1-2H3,(H,24,25).
What are the key properties of N-(2-chlorophenyl)-5-(3,5-dimethylanilino)pyridine-3-carboxamide?
N-(2-chlorophenyl)-5-(3,5-dimethylanilino)pyridine-3-carboxamide has a molecular weight of 351.84 g/mol, XLogP of 5.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-(3,5-dimethylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109243068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).