6-(2,4-difluoroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide

C20H17F2N3O — CID 109156252

IUPAC6-(2,4-difluoroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(Nc2ccc(F)cc2F)nc1)c1ccccc1
InChIInChI=1S/C20H17F2N3O/c1-13(14-5-3-2-4-6-14)24-20(26)15-7-10-19(23-12-15)25-18-9-8-16(21)11-17(18)22/h2-13H,1H3,(H,23,25)(H,24,26)
InChIKeyNYDDNPBWPYFPRD-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.59
Rot. Bonds5

About 6-(2,4-difluoroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide

6-(2,4-difluoroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide (PubChem CID 109156252) has the molecular formula C20H17F2N3O and a molecular weight of 353.37 g/mol. Its IUPAC name is 6-(2,4-difluoroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2,4-difluoroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
PubChem CID109156252
Molecular FormulaC20H17F2N3O
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name6-(2,4-difluoroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(Nc2ccc(F)cc2F)nc1)c1ccccc1
InChIInChI=1S/C20H17F2N3O/c1-13(14-5-3-2-4-6-14)24-20(26)15-7-10-19(23-12-15)25-18-9-8-16(21)11-17(18)22/h2-13H,1H3,(H,23,25)(H,24,26)
InChIKeyNYDDNPBWPYFPRD-UHFFFAOYSA-N
XLogP4.59
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,4-difluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280871
6-(2-ethoxyanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109156225
1-N-(2,4-difluorophenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109054492
N-(1-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109156235
6-(ethylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 62165290
5-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 43414636
1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea
CID 51579251
6-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109151952
N-benzyl-6-(2,4-difluoroanilino)-N-ethylpyridine-3-carboxamide
CID 109157649
1-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113021903
N-(2,4-difluorophenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 7393082
N-(2,4-difluorophenyl)-6-(2,4-dimethylanilino)pyridine-3-carboxamide
CID 109162562

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluoroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(2,4-difluoroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide (CID 109156252) is 6-(2,4-difluoroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(2,4-difluoroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(2,4-difluoroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide is CC(NC(=O)c1ccc(Nc2ccc(F)cc2F)nc1)c1ccccc1.
What is the InChIKey of 6-(2,4-difluoroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide?
The InChIKey is NYDDNPBWPYFPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O/c1-13(14-5-3-2-4-6-14)24-20(26)15-7-10-19(23-12-15)25-18-9-8-16(21)11-17(18)22/h2-13H,1H3,(H,23,25)(H,24,26).
What are the key properties of 6-(2,4-difluoroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide?
6-(2,4-difluoroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide has a molecular weight of 353.37 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluoroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109156252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).