2-(4-acetamidoanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide

C21H19ClN4O2 — CID 109170770

IUPAC2-(4-acetamidoanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide
SMILESCC(=O)Nc1ccc(Nc2cc(C(=O)NCc3ccccc3Cl)ccn2)cc1
InChIInChI=1S/C21H19ClN4O2/c1-14(27)25-17-6-8-18(9-7-17)26-20-12-15(10-11-23-20)21(28)24-13-16-4-2-3-5-19(16)22/h2-12H,13H2,1H3,(H,23,26)(H,24,28)(H,25,27)
InChIKeyOHVSEXHJERAZCQ-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.37
Rot. Bonds6

About 2-(4-acetamidoanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide

2-(4-acetamidoanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide (PubChem CID 109170770) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 2-(4-acetamidoanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetamidoanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide
PubChem CID109170770
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name2-(4-acetamidoanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide
SMILESCC(=O)Nc1ccc(Nc2cc(C(=O)NCc3ccccc3Cl)ccn2)cc1
InChIInChI=1S/C21H19ClN4O2/c1-14(27)25-17-6-8-18(9-7-17)26-20-12-15(10-11-23-20)21(28)24-13-16-4-2-3-5-19(16)22/h2-12H,13H2,1H3,(H,23,26)(H,24,28)(H,25,27)
InChIKeyOHVSEXHJERAZCQ-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

2-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide
CID 109170767
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109170766
2-(4-acetamidoanilino)-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 109177376
N-[(2-chlorophenyl)methyl]-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170717
N-[(2-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109170757
N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109170782
4-N-[(2-chlorophenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086644
N-(4-acetylphenyl)-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170839
methyl 2-[[4-[(2-chlorophenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109170771
N-(4-chlorophenyl)-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170825
N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyridine-4-carboxamide
CID 109170764
2-(3-chloro-4-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109171051

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidoanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-(4-acetamidoanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide (CID 109170770) is 2-(4-acetamidoanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(4-acetamidoanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(4-acetamidoanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide is CC(=O)Nc1ccc(Nc2cc(C(=O)NCc3ccccc3Cl)ccn2)cc1.
What is the InChIKey of 2-(4-acetamidoanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide?
The InChIKey is OHVSEXHJERAZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-14(27)25-17-6-8-18(9-7-17)26-20-12-15(10-11-23-20)21(28)24-13-16-4-2-3-5-19(16)22/h2-12H,13H2,1H3,(H,23,26)(H,24,28)(H,25,27).
What are the key properties of 2-(4-acetamidoanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide?
2-(4-acetamidoanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-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 2-(4-acetamidoanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 109170770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).