2-(4-acetamidoanilino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide

C21H19ClN4O2 — CID 109177651

IUPAC2-(4-acetamidoanilino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide
SMILESCC(=O)Nc1ccc(Nc2cc(C(=O)Nc3ccc(Cl)cc3C)ccn2)cc1
InChIInChI=1S/C21H19ClN4O2/c1-13-11-16(22)3-8-19(13)26-21(28)15-9-10-23-20(12-15)25-18-6-4-17(5-7-18)24-14(2)27/h3-12H,1-2H3,(H,23,25)(H,24,27)(H,26,28)
InChIKeyZCFWAHBERLPTKG-UHFFFAOYSA-N
MW394.86 g/mol
LogP5.00
Rot. Bonds5

About 2-(4-acetamidoanilino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide

2-(4-acetamidoanilino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide (PubChem CID 109177651) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 2-(4-acetamidoanilino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetamidoanilino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide
PubChem CID109177651
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name2-(4-acetamidoanilino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide
SMILESCC(=O)Nc1ccc(Nc2cc(C(=O)Nc3ccc(Cl)cc3C)ccn2)cc1
InChIInChI=1S/C21H19ClN4O2/c1-13-11-16(22)3-8-19(13)26-21(28)15-9-10-23-20(12-15)25-18-6-4-17(5-7-18)24-14(2)27/h3-12H,1-2H3,(H,23,25)(H,24,27)(H,26,28)
InChIKeyZCFWAHBERLPTKG-UHFFFAOYSA-N
XLogP5.00
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide
CID 109177662
2-(1,3-benzodioxol-5-ylamino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide
CID 109177657
2-(4-acetamidoanilino)-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 109177376
2-(4-acetamidoanilino)-N-(4-methylphenyl)pyridine-4-carboxamide
CID 109176294
2-(3-acetylanilino)-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 109177507
N-(4-chloro-2-methylphenyl)-2-methoxypyridine-4-carboxamide
CID 110859208
4-N-(4-chloro-2-methylphenyl)-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092935
2-N-(4-chloro-2-methylphenyl)-4-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092943
2-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109177682
N-(3,4-difluorophenyl)-2-(2,4-dimethylanilino)pyridine-4-carboxamide
CID 109176615
N-(3-acetamidophenyl)-2-(4-acetylanilino)pyridine-4-carboxamide
CID 109178526
2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide
CID 109176756

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidoanilino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(4-acetamidoanilino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide (CID 109177651) is 2-(4-acetamidoanilino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(4-acetamidoanilino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(4-acetamidoanilino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide is CC(=O)Nc1ccc(Nc2cc(C(=O)Nc3ccc(Cl)cc3C)ccn2)cc1.
What is the InChIKey of 2-(4-acetamidoanilino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide?
The InChIKey is ZCFWAHBERLPTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-13-11-16(22)3-8-19(13)26-21(28)15-9-10-23-20(12-15)25-18-6-4-17(5-7-18)24-14(2)27/h3-12H,1-2H3,(H,23,25)(H,24,27)(H,26,28).
What are the key properties of 2-(4-acetamidoanilino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide?
2-(4-acetamidoanilino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide has a molecular weight of 394.86 g/mol, XLogP of 5.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidoanilino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109177651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).