5-(3-acetamidoanilino)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide

C21H19ClN4O2 — CID 109199474

IUPAC5-(3-acetamidoanilino)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide
SMILESCC(=O)Nc1cccc(Nc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)nc2)c1
InChIInChI=1S/C21H19ClN4O2/c1-13-6-7-17(11-19(13)22)26-21(28)20-9-8-18(12-23-20)25-16-5-3-4-15(10-16)24-14(2)27/h3-12,25H,1-2H3,(H,24,27)(H,26,28)
InChIKeyYMJPIFZFGWZHIY-UHFFFAOYSA-N
MW394.86 g/mol
LogP5.00
Rot. Bonds5

About 5-(3-acetamidoanilino)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide

5-(3-acetamidoanilino)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide (PubChem CID 109199474) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 5-(3-acetamidoanilino)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-acetamidoanilino)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide
PubChem CID109199474
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name5-(3-acetamidoanilino)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide
SMILESCC(=O)Nc1cccc(Nc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)nc2)c1
InChIInChI=1S/C21H19ClN4O2/c1-13-6-7-17(11-19(13)22)26-21(28)20-9-8-18(12-23-20)25-16-5-3-4-15(10-16)24-14(2)27/h3-12,25H,1-2H3,(H,24,27)(H,26,28)
InChIKeyYMJPIFZFGWZHIY-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

5-(3-chloro-4-methylanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199489
5-(3-acetamidoanilino)-N-(3-acetylphenyl)pyridine-2-carboxamide
CID 109200332
N-(3-acetamidophenyl)-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide
CID 109244893
5-(3-acetamidoanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199786
methyl 4-[[6-[(3-chloro-4-methylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199478
N-(3-chloro-4-fluorophenyl)-5-(3-methylanilino)pyridine-2-carboxamide
CID 109197376
5-(3-chloro-4-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109197308
5-(3-acetamidoanilino)-N-pentylpyridine-2-carboxamide
CID 109195775
N-(3-chlorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide
CID 109197509
5-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109293178
4-(3-chloro-4-methylanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109221266
5-(3-chloro-4-methylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183935

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetamidoanilino)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-acetamidoanilino)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide (CID 109199474) is 5-(3-acetamidoanilino)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-acetamidoanilino)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-acetamidoanilino)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide is CC(=O)Nc1cccc(Nc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)nc2)c1.
What is the InChIKey of 5-(3-acetamidoanilino)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide?
The InChIKey is YMJPIFZFGWZHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-13-6-7-17(11-19(13)22)26-21(28)20-9-8-18(12-23-20)25-16-5-3-4-15(10-16)24-14(2)27/h3-12,25H,1-2H3,(H,24,27)(H,26,28).
What are the key properties of 5-(3-acetamidoanilino)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide?
5-(3-acetamidoanilino)-N-(3-chloro-4-methylphenyl)pyridine-2-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 5-(3-acetamidoanilino)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109199474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).