N-(3-acetamidophenyl)-5-(4-chloroanilino)pyridine-3-carboxamide

C20H17ClN4O2 — CID 109244632

IUPACN-(3-acetamidophenyl)-5-(4-chloroanilino)pyridine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cncc(Nc3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C20H17ClN4O2/c1-13(26)23-17-3-2-4-18(10-17)25-20(27)14-9-19(12-22-11-14)24-16-7-5-15(21)6-8-16/h2-12,24H,1H3,(H,23,26)(H,25,27)
InChIKeyJIHWNSAPMSJYEB-UHFFFAOYSA-N
MW380.84 g/mol
LogP4.69
Rot. Bonds5

About N-(3-acetamidophenyl)-5-(4-chloroanilino)pyridine-3-carboxamide

N-(3-acetamidophenyl)-5-(4-chloroanilino)pyridine-3-carboxamide (PubChem CID 109244632) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-5-(4-chloroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-5-(4-chloroanilino)pyridine-3-carboxamide
PubChem CID109244632
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC NameN-(3-acetamidophenyl)-5-(4-chloroanilino)pyridine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cncc(Nc3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C20H17ClN4O2/c1-13(26)23-17-3-2-4-18(10-17)25-20(27)14-9-19(12-22-11-14)24-16-7-5-15(21)6-8-16/h2-12,24H,1H3,(H,23,26)(H,25,27)
InChIKeyJIHWNSAPMSJYEB-UHFFFAOYSA-N
XLogP4.69
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 54.69
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
5-(4-chloroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109244617
N-(3-acetamidophenyl)-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide
CID 109244893
5-(3-chloroanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109244464
N-(3-acetamidophenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109245862
5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-3-carboxamide
CID 109234047
5-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109245875
5-(4-chloroanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109244637
N-(3-chlorophenyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109244480
5-(3,5-dichloroanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241902
N-(3-acetamidophenyl)-5-(2-methylanilino)pyridine-3-carboxamide
CID 109241783
5-(4-acetylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241874

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-5-(4-chloroanilino)pyridine-3-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-5-(4-chloroanilino)pyridine-3-carboxamide (CID 109244632) is N-(3-acetamidophenyl)-5-(4-chloroanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-5-(4-chloroanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-5-(4-chloroanilino)pyridine-3-carboxamide is CC(=O)Nc1cccc(NC(=O)c2cncc(Nc3ccc(Cl)cc3)c2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-5-(4-chloroanilino)pyridine-3-carboxamide?
The InChIKey is JIHWNSAPMSJYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-13(26)23-17-3-2-4-18(10-17)25-20(27)14-9-19(12-22-11-14)24-16-7-5-15(21)6-8-16/h2-12,24H,1H3,(H,23,26)(H,25,27).
What are the key properties of N-(3-acetamidophenyl)-5-(4-chloroanilino)pyridine-3-carboxamide?
N-(3-acetamidophenyl)-5-(4-chloroanilino)pyridine-3-carboxamide has a molecular weight of 380.84 g/mol, XLogP of 4.69, 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-(4-chloroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109244632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).