6-(2-chloro-6-methylanilino)-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)pyridine-3-carboxamide

C20H21ClF3N3O2 — CID 142863895

IUPAC6-(2-chloro-6-methylanilino)-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cccc(Cl)c1Nc1ccc(C(=O)NCC2CCOCC2)c(C(F)(F)F)n1
InChIInChI=1S/C20H21ClF3N3O2/c1-12-3-2-4-15(21)17(12)26-16-6-5-14(18(27-16)20(22,23)24)19(28)25-11-13-7-9-29-10-8-13/h2-6,13H,7-11H2,1H3,(H,25,28)(H,26,27)
InChIKeyUDXPBBDNNXKPBI-UHFFFAOYSA-N
MW427.85 g/mol
LogP4.96
Rot. Bonds5

About 6-(2-chloro-6-methylanilino)-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)pyridine-3-carboxamide

6-(2-chloro-6-methylanilino)-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 142863895) has the molecular formula C20H21ClF3N3O2 and a molecular weight of 427.85 g/mol. Its IUPAC name is 6-(2-chloro-6-methylanilino)-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-chloro-6-methylanilino)-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID142863895
Molecular FormulaC20H21ClF3N3O2
Molecular Weight427.85 g/mol
Exact Mass427.13
IUPAC Name6-(2-chloro-6-methylanilino)-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cccc(Cl)c1Nc1ccc(C(=O)NCC2CCOCC2)c(C(F)(F)F)n1
InChIInChI=1S/C20H21ClF3N3O2/c1-12-3-2-4-15(21)17(12)26-16-6-5-14(18(27-16)20(22,23)24)19(28)25-11-13-7-9-29-10-8-13/h2-6,13H,7-11H2,1H3,(H,25,28)(H,26,27)
InChIKeyUDXPBBDNNXKPBI-UHFFFAOYSA-N
XLogP4.96
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.85
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-2-fluoroanilino)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10071498
2-(2,5-dichloroanilino)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10253142
2-chloro-6-methyl-N-(oxan-4-ylmethyl)aniline
CID 66253970
6-(4-chloro-2-methylanilino)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 44570575
2,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736396
2-(3-cyanoanilino)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10092677
2-(2-chloroanilino)-N-(cyclobutylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 59191127
3-bromo-2-chloro-N-(oxan-4-ylmethyl)benzamide
CID 113362409
5-chloro-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide
CID 114923616
1-(2-chloro-6-methylphenyl)-3-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)urea
CID 99836340
4-chloro-2-hydroxy-N-(oxan-4-ylmethyl)benzamide
CID 62328293
2,6-dimethoxy-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 91914773

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-methylanilino)-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(2-chloro-6-methylanilino)-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)pyridine-3-carboxamide (CID 142863895) is 6-(2-chloro-6-methylanilino)-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-chloro-6-methylanilino)-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(2-chloro-6-methylanilino)-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)pyridine-3-carboxamide is Cc1cccc(Cl)c1Nc1ccc(C(=O)NCC2CCOCC2)c(C(F)(F)F)n1.
What is the InChIKey of 6-(2-chloro-6-methylanilino)-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is UDXPBBDNNXKPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF3N3O2/c1-12-3-2-4-15(21)17(12)26-16-6-5-14(18(27-16)20(22,23)24)19(28)25-11-13-7-9-29-10-8-13/h2-6,13H,7-11H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 6-(2-chloro-6-methylanilino)-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)pyridine-3-carboxamide?
6-(2-chloro-6-methylanilino)-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 427.85 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-methylanilino)-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 142863895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).