5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide

C21H19ClN4O2 — CID 109190050

IUPAC5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide
SMILESCC(=O)Nc1ccc(Nc2ccc(C(=O)NCc3ccc(Cl)cc3)nc2)cc1
InChIInChI=1S/C21H19ClN4O2/c1-14(27)25-17-6-8-18(9-7-17)26-19-10-11-20(23-13-19)21(28)24-12-15-2-4-16(22)5-3-15/h2-11,13,26H,12H2,1H3,(H,24,28)(H,25,27)
InChIKeyHCXKYJXBOCXBDA-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.37
Rot. Bonds6

About 5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide

5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide (PubChem CID 109190050) 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-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide
PubChem CID109190050
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide
SMILESCC(=O)Nc1ccc(Nc2ccc(C(=O)NCc3ccc(Cl)cc3)nc2)cc1
InChIInChI=1S/C21H19ClN4O2/c1-14(27)25-17-6-8-18(9-7-17)26-19-10-11-20(23-13-19)21(28)24-12-15-2-4-16(22)5-3-15/h2-11,13,26H,12H2,1H3,(H,24,28)(H,25,27)
InChIKeyHCXKYJXBOCXBDA-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

5-(4-acetamidoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191552
N-[(4-chlorophenyl)methyl]-5-(4-cyanoanilino)pyridine-2-carboxamide
CID 109190063
5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-3-carboxamide
CID 109234047
5-(4-acetylanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188694
5-anilino-N-benzylpyridine-2-carboxamide
CID 109187879
5-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190978
5-(4-acetamidoanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109180372
4-(4-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211464
5-(3,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190451
N-[4-(4-chloroanilino)phenyl]acetamide
CID 71397904
5-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191533
5-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109190073

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide (CID 109190050) is 5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide is CC(=O)Nc1ccc(Nc2ccc(C(=O)NCc3ccc(Cl)cc3)nc2)cc1.
What is the InChIKey of 5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide?
The InChIKey is HCXKYJXBOCXBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-14(27)25-17-6-8-18(9-7-17)26-19-10-11-20(23-13-19)21(28)24-12-15-2-4-16(22)5-3-15/h2-11,13,26H,12H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide?
5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-2-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-2-carboxamide is sourced from PubChem (CID 109190050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).