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

C21H19FN4O2 — CID 109211464

IUPAC4-(4-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESCC(=O)Nc1ccc(Nc2ccnc(C(=O)NCc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C21H19FN4O2/c1-14(27)25-17-6-8-18(9-7-17)26-19-10-11-23-20(12-19)21(28)24-13-15-2-4-16(22)5-3-15/h2-12H,13H2,1H3,(H,23,26)(H,24,28)(H,25,27)
InChIKeyDUCAZKKGUFRHOE-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.85
Rot. Bonds6

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

4-(4-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide (PubChem CID 109211464) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 4-(4-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
PubChem CID109211464
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name4-(4-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESCC(=O)Nc1ccc(Nc2ccnc(C(=O)NCc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C21H19FN4O2/c1-14(27)25-17-6-8-18(9-7-17)26-19-10-11-23-20(12-19)21(28)24-13-15-2-4-16(22)5-3-15/h2-12H,13H2,1H3,(H,23,26)(H,24,28)(H,25,27)
InChIKeyDUCAZKKGUFRHOE-UHFFFAOYSA-N
XLogP3.85
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211451
N-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluoroanilino)pyridine-2-carboxamide
CID 109215529
4-(3-acetamidoanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210484
N-[(4-fluorophenyl)methyl]-4-hydrazinylpyridine-2-carboxamide
CID 62249040
N-[(4-fluorophenyl)methyl]-4-(propylamino)pyridine-2-carboxamide
CID 62167261
4-(4-ethylanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214135
4-(4-acetamidoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209396
4-(4-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212022
2-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305715
4-(4-acetylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212220
4-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109201906
4-[3-(dimethylamino)propylamino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109207899

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(4-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide (CID 109211464) is 4-(4-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide is CC(=O)Nc1ccc(Nc2ccnc(C(=O)NCc3ccc(F)cc3)c2)cc1.
What is the InChIKey of 4-(4-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
The InChIKey is DUCAZKKGUFRHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-14(27)25-17-6-8-18(9-7-17)26-19-10-11-23-20(12-19)21(28)24-13-15-2-4-16(22)5-3-15/h2-12H,13H2,1H3,(H,23,26)(H,24,28)(H,25,27).
What are the key properties of 4-(4-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
4-(4-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 3.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109211464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).