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

C21H19FN4O2 — CID 109156577

IUPAC6-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESCC(=O)Nc1cccc(Nc2ccc(C(=O)NCc3ccccc3F)cn2)c1
InChIInChI=1S/C21H19FN4O2/c1-14(27)25-17-6-4-7-18(11-17)26-20-10-9-16(13-23-20)21(28)24-12-15-5-2-3-8-19(15)22/h2-11,13H,12H2,1H3,(H,23,26)(H,24,28)(H,25,27)
InChIKeyRGYLJXNTWSCKJQ-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.85
Rot. Bonds6

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

6-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 109156577) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 6-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
PubChem CID109156577
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name6-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESCC(=O)Nc1cccc(Nc2ccc(C(=O)NCc3ccccc3F)cn2)c1
InChIInChI=1S/C21H19FN4O2/c1-14(27)25-17-6-4-7-18(11-17)26-20-10-9-16(13-23-20)21(28)24-12-15-5-2-3-8-19(15)22/h2-11,13H,12H2,1H3,(H,23,26)(H,24,28)(H,25,27)
InChIKeyRGYLJXNTWSCKJQ-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

6-(3-acetylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109156575
2-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256972
methyl 3-[[5-[(2-fluorophenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109156580
3-acetamido-N-[(2-fluorophenyl)methyl]benzamide
CID 8012881
6-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide
CID 109156880
6-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109158603
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
6-(3-acetamidoanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109162236
6-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
CID 109162750
6-(4-acetamidoanilino)-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 109164557
5-(3-acetamidoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232047

Frequently Asked Questions

What is the IUPAC name of 6-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide (CID 109156577) is 6-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide is CC(=O)Nc1cccc(Nc2ccc(C(=O)NCc3ccccc3F)cn2)c1.
What is the InChIKey of 6-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is RGYLJXNTWSCKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-14(27)25-17-6-4-7-18(11-17)26-20-10-9-16(13-23-20)21(28)24-12-15-5-2-3-8-19(15)22/h2-11,13H,12H2,1H3,(H,23,26)(H,24,28)(H,25,27).
What are the key properties of 6-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide?
6-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-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 6-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109156577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).