6-(3-chloroanilino)-N-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide

C20H14ClF4N3O — CID 10342262

IUPAC6-(3-chloroanilino)-N-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cnc(Nc2cccc(Cl)c2)cc1C(F)(F)F
InChIInChI=1S/C20H14ClF4N3O/c21-13-2-1-3-15(8-13)28-18-9-17(20(23,24)25)16(11-26-18)19(29)27-10-12-4-6-14(22)7-5-12/h1-9,11H,10H2,(H,26,28)(H,27,29)
InChIKeyPXBAWBJBSAXHLC-UHFFFAOYSA-N
MW423.80 g/mol
LogP5.57
Rot. Bonds5

About 6-(3-chloroanilino)-N-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide

6-(3-chloroanilino)-N-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 10342262) has the molecular formula C20H14ClF4N3O and a molecular weight of 423.80 g/mol. Its IUPAC name is 6-(3-chloroanilino)-N-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-chloroanilino)-N-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID10342262
Molecular FormulaC20H14ClF4N3O
Molecular Weight423.80 g/mol
Exact Mass423.08
IUPAC Name6-(3-chloroanilino)-N-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cnc(Nc2cccc(Cl)c2)cc1C(F)(F)F
InChIInChI=1S/C20H14ClF4N3O/c21-13-2-1-3-15(8-13)28-18-9-17(20(23,24)25)16(11-26-18)19(29)27-10-12-4-6-14(22)7-5-12/h1-9,11H,10H2,(H,26,28)(H,27,29)
InChIKeyPXBAWBJBSAXHLC-UHFFFAOYSA-N
XLogP5.57
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.80
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-chloroanilino)-N-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 69355064
6-(3-fluoroanilino)-N-(2-methylpropyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 69356121
6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide
CID 10047143
2-(3-chloroanilino)-N-[(2-chloro-4-fluorophenyl)methyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10321948
5-(3,5-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281654
N-(cyclopropylmethyl)-6-(3,5-dichloroanilino)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 69354655
N-[(4-chlorophenyl)methyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109282066
6-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide
CID 10385607
4-N-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859776
6-anilino-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 69355285
2-(2,4-dichloroanilino)-N-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10321947
2-N-(3-chlorophenyl)-4-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086529

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloroanilino)-N-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(3-chloroanilino)-N-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide (CID 10342262) is 6-(3-chloroanilino)-N-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-chloroanilino)-N-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3-chloroanilino)-N-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide is O=C(NCc1ccc(F)cc1)c1cnc(Nc2cccc(Cl)c2)cc1C(F)(F)F.
What is the InChIKey of 6-(3-chloroanilino)-N-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is PXBAWBJBSAXHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF4N3O/c21-13-2-1-3-15(8-13)28-18-9-17(20(23,24)25)16(11-26-18)19(29)27-10-12-4-6-14(22)7-5-12/h1-9,11H,10H2,(H,26,28)(H,27,29).
What are the key properties of 6-(3-chloroanilino)-N-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
6-(3-chloroanilino)-N-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 423.80 g/mol, XLogP of 5.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloroanilino)-N-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 10342262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).