N-(3-acetamidophenyl)-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide

C21H19ClN4O2 — CID 109244893

IUPACN-(3-acetamidophenyl)-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cncc(Nc3ccc(C)c(Cl)c3)c2)c1
InChIInChI=1S/C21H19ClN4O2/c1-13-6-7-18(10-20(13)22)25-19-8-15(11-23-12-19)21(28)26-17-5-3-4-16(9-17)24-14(2)27/h3-12,25H,1-2H3,(H,24,27)(H,26,28)
InChIKeyIOQWWFQOLXDBPQ-UHFFFAOYSA-N
MW394.86 g/mol
LogP5.00
Rot. Bonds5

About N-(3-acetamidophenyl)-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide

N-(3-acetamidophenyl)-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide (PubChem CID 109244893) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide
PubChem CID109244893
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC NameN-(3-acetamidophenyl)-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cncc(Nc3ccc(C)c(Cl)c3)c2)c1
InChIInChI=1S/C21H19ClN4O2/c1-13-6-7-18(10-20(13)22)25-19-8-15(11-23-12-19)21(28)26-17-5-3-4-16(9-17)24-14(2)27/h3-12,25H,1-2H3,(H,24,27)(H,26,28)
InChIKeyIOQWWFQOLXDBPQ-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-acetamidoanilino)-N-(4-chlorophenyl)pyridine-3-carboxamide
CID 109244585
N-(3-acetamidophenyl)-5-(4-chloroanilino)pyridine-3-carboxamide
CID 109244632
5-(3-acetamidoanilino)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide
CID 109199474
5-(3,4-dimethylanilino)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242892
N-(3-acetamidophenyl)-5-(2-methylanilino)pyridine-3-carboxamide
CID 109241783
N-(3-chloro-4-fluorophenyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide
CID 109242960
N-(3-acetamidophenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109245862
5-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109245875
5-(3-chloroanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109244464
N-(3-chloro-4-methylphenyl)-5-hydroxypyridine-3-carboxamide
CID 63865104
methyl 2-[[5-(3-chloro-4-methylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109244895
methyl 3-[[5-[(3,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109242927

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide (CID 109244893) is N-(3-acetamidophenyl)-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide is CC(=O)Nc1cccc(NC(=O)c2cncc(Nc3ccc(C)c(Cl)c3)c2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide?
The InChIKey is IOQWWFQOLXDBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-13-6-7-18(10-20(13)22)25-19-8-15(11-23-12-19)21(28)26-17-5-3-4-16(9-17)24-14(2)27/h3-12,25H,1-2H3,(H,24,27)(H,26,28).
What are the key properties of N-(3-acetamidophenyl)-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide?
N-(3-acetamidophenyl)-5-(3-chloro-4-methylanilino)pyridine-3-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 N-(3-acetamidophenyl)-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109244893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).