6-(3-acetylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide

C21H18FN3O2 — CID 109156575

IUPAC6-(3-acetylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESCC(=O)c1cccc(Nc2ccc(C(=O)NCc3ccccc3F)cn2)c1
InChIInChI=1S/C21H18FN3O2/c1-14(26)15-6-4-7-18(11-15)25-20-10-9-17(13-23-20)21(27)24-12-16-5-2-3-8-19(16)22/h2-11,13H,12H2,1H3,(H,23,25)(H,24,27)
InChIKeyNWLUTECCCHUSPZ-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.10
Rot. Bonds6

About 6-(3-acetylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide

6-(3-acetylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 109156575) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 6-(3-acetylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-acetylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
PubChem CID109156575
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name6-(3-acetylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESCC(=O)c1cccc(Nc2ccc(C(=O)NCc3ccccc3F)cn2)c1
InChIInChI=1S/C21H18FN3O2/c1-14(26)15-6-4-7-18(11-15)25-20-10-9-17(13-23-20)21(27)24-12-16-5-2-3-8-19(16)22/h2-11,13H,12H2,1H3,(H,23,25)(H,24,27)
InChIKeyNWLUTECCCHUSPZ-UHFFFAOYSA-N
XLogP4.10
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109156577
methyl 3-[[5-[(2-fluorophenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109156580
6-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide
CID 109156880
6-(3-acetylanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109155929
2-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256972
6-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109158603
3-acetamido-N-[(2-fluorophenyl)methyl]benzamide
CID 8012881
N-[6-(3-acetylanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113049086
N-[(2-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109156594
N-[(2-fluorophenyl)methyl]-6-(propylamino)pyridine-3-carboxamide
CID 62166042
2-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide
CID 109170767
N-[(2-fluorophenyl)methyl]-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109156514

Frequently Asked Questions

What is the IUPAC name of 6-(3-acetylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-acetylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide (CID 109156575) is 6-(3-acetylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-acetylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-acetylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide is CC(=O)c1cccc(Nc2ccc(C(=O)NCc3ccccc3F)cn2)c1.
What is the InChIKey of 6-(3-acetylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is NWLUTECCCHUSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-14(26)15-6-4-7-18(11-15)25-20-10-9-17(13-23-20)21(27)24-12-16-5-2-3-8-19(16)22/h2-11,13H,12H2,1H3,(H,23,25)(H,24,27).
What are the key properties of 6-(3-acetylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide?
6-(3-acetylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 363.39 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-acetylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109156575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).