4-(3-acetylanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide

C20H16FN3O2 — CID 109220749

IUPAC4-(3-acetylanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
SMILESCC(=O)c1cccc(Nc2ccnc(C(=O)Nc3ccc(F)cc3)c2)c1
InChIInChI=1S/C20H16FN3O2/c1-13(25)14-3-2-4-17(11-14)23-18-9-10-22-19(12-18)20(26)24-16-7-5-15(21)6-8-16/h2-12H,1H3,(H,22,23)(H,24,26)
InChIKeySQZOXOBBFJZLFW-UHFFFAOYSA-N
MW349.37 g/mol
LogP4.42
Rot. Bonds5

About 4-(3-acetylanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide

4-(3-acetylanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide (PubChem CID 109220749) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 4-(3-acetylanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-acetylanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
PubChem CID109220749
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name4-(3-acetylanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
SMILESCC(=O)c1cccc(Nc2ccnc(C(=O)Nc3ccc(F)cc3)c2)c1
InChIInChI=1S/C20H16FN3O2/c1-13(25)14-3-2-4-17(11-14)23-18-9-10-22-19(12-18)20(26)24-16-7-5-15(21)6-8-16/h2-12H,1H3,(H,22,23)(H,24,26)
InChIKeySQZOXOBBFJZLFW-UHFFFAOYSA-N
XLogP4.42
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-4-anilinopyridine-2-carboxamide
CID 109218881
N-(3-acetylphenyl)-4-(4-tert-butylanilino)pyridine-2-carboxamide
CID 109220583
methyl 3-[[4-(4-acetylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109222174
N-(3-acetylphenyl)-4-(3,4-dimethoxyanilino)pyridine-2-carboxamide
CID 109222033
4-(4-acetylanilino)-N-(4-acetylphenyl)pyridine-2-carboxamide
CID 109222150
4-(3-acetylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109221907
methyl 3-[[2-[(4-fluorophenyl)carbamoyl]pyridine-4-carbonyl]amino]benzoate
CID 109092752
N-(3,4-dichlorophenyl)-4-(4-fluoroanilino)pyridine-2-carboxamide
CID 109220837
2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090859
2-N-(4-acetylphenyl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109093206
4-(3-acetylanilino)-N-(2-ethylphenyl)pyridine-2-carboxamide
CID 109220139
4-(3-acetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109222149

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(3-acetylanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide (CID 109220749) is 4-(3-acetylanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-acetylanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(3-acetylanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide is CC(=O)c1cccc(Nc2ccnc(C(=O)Nc3ccc(F)cc3)c2)c1.
What is the InChIKey of 4-(3-acetylanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is SQZOXOBBFJZLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c1-13(25)14-3-2-4-17(11-14)23-18-9-10-22-19(12-18)20(26)24-16-7-5-15(21)6-8-16/h2-12H,1H3,(H,22,23)(H,24,26).
What are the key properties of 4-(3-acetylanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide?
4-(3-acetylanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 349.37 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetylanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109220749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).