5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-3-carboxamide

C21H19ClN4O2 — CID 109234047

IUPAC5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(Nc2cncc(C(=O)NCc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C21H19ClN4O2/c1-14(27)25-18-6-8-19(9-7-18)26-20-10-16(12-23-13-20)21(28)24-11-15-2-4-17(22)5-3-15/h2-10,12-13,26H,11H2,1H3,(H,24,28)(H,25,27)
InChIKeyOYJFBMHPXAWJDN-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.37
Rot. Bonds6

About 5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-3-carboxamide

5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 109234047) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-3-carboxamide
PubChem CID109234047
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(Nc2cncc(C(=O)NCc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C21H19ClN4O2/c1-14(27)25-18-6-8-19(9-7-18)26-20-10-16(12-23-13-20)21(28)24-11-15-2-4-17(22)5-3-15/h2-10,12-13,26H,11H2,1H3,(H,24,28)(H,25,27)
InChIKeyOYJFBMHPXAWJDN-UHFFFAOYSA-N
XLogP4.37
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109234037
N-(3-acetamidophenyl)-5-(4-chloroanilino)pyridine-3-carboxamide
CID 109244632
5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide
CID 109190050
5-(3-acetamidoanilino)-N-(4-chlorophenyl)pyridine-3-carboxamide
CID 109244585
N-benzyl-5-(4-methylanilino)pyridine-3-carboxamide
CID 109231691
5-(3,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235617
5-(4-chloroanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109244637
N-tert-butyl-5-(4-chloroanilino)pyridine-3-carboxamide
CID 109239296
N-(4-chlorophenyl)-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233729
5-anilino-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235531
N-(3-chloro-4-fluorophenyl)-5-(4-ethylanilino)pyridine-3-carboxamide
CID 109243498
methyl 4-[[5-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109234145

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-3-carboxamide (CID 109234047) is 5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-3-carboxamide is CC(=O)Nc1ccc(Nc2cncc(C(=O)NCc3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of 5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is OYJFBMHPXAWJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-14(27)25-18-6-8-19(9-7-18)26-20-10-16(12-23-13-20)21(28)24-11-15-2-4-17(22)5-3-15/h2-10,12-13,26H,11H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-3-carboxamide?
5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 394.86 g/mol, XLogP of 4.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109234047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).