2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide

C20H14Cl2F3N3O — CID 155925550

IUPAC2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C20H14Cl2F3N3O/c1-11-5-6-13(22)10-16(11)27-18-15(7-8-17(28-18)20(23,24)25)19(29)26-14-4-2-3-12(21)9-14/h2-10H,1H3,(H,26,29)(H,27,28)
InChIKeyYTESRXZVLXATSV-UHFFFAOYSA-N
MW440.25 g/mol
LogP6.71
Rot. Bonds4

About 2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide

2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 155925550) has the molecular formula C20H14Cl2F3N3O and a molecular weight of 440.25 g/mol. Its IUPAC name is 2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID155925550
Molecular FormulaC20H14Cl2F3N3O
Molecular Weight440.25 g/mol
Exact Mass439.05
IUPAC Name2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C20H14Cl2F3N3O/c1-11-5-6-13(22)10-16(11)27-18-15(7-8-17(28-18)20(23,24)25)19(29)26-14-4-2-3-12(21)9-14/h2-10H,1H3,(H,26,29)(H,27,28)
InChIKeyYTESRXZVLXATSV-UHFFFAOYSA-N
XLogP6.71
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.25
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-quinolin-2-ylbenzamide
CID 2812964
3-Acyl-2,6-diaminopyridine deriv. 2k
CID 5330825
N,N'-2,6-pyridinediylbis(4-chlorobenzamide)
CID 2837061
2-{[(2-Chloroanilino)carbonyl]amino}-4,6-dimethylnicotinamide
CID 3765547
2-(4-Chloro-phenyl)-7-methyl-1H-[1,8]naphthyridin-4-one
CID 5468912
2-(3-Chloro-phenyl)-7-methyl-1H-[1,8]naphthyridin-4-one
CID 5468914
2-(3-Chlorophenylamino)-4-trifluoromethylpyridine-5-carboxylic acid cyclohexylmethyl amide
CID 44570612
7-(2-Chlorophenyl)-6-(4-chlorophenyl)-2-isopropylpyrido[2,3-d]pyrimidin-4-ol
CID 135923581
2-Tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-ol
CID 135923694
2-Tert-butyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)pyrido[2,3-d]pyrimidin-4-ol
CID 135923695
7-(2-Chlorophenyl)-2,6-bis(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-ol
CID 135923696
4-chloro-2-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide
CID 146420204

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 155925550) is 2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is YTESRXZVLXATSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2F3N3O/c1-11-5-6-13(22)10-16(11)27-18-15(7-8-17(28-18)20(23,24)25)19(29)26-14-4-2-3-12(21)9-14/h2-10H,1H3,(H,26,29)(H,27,28).
What are the key properties of 2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 440.25 g/mol, XLogP of 6.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 155925550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).