N-(cyclopropylmethyl)-6-(3,5-dichloroanilino)-4-(trifluoromethyl)pyridine-3-carboxamide

C17H14Cl2F3N3O — CID 69354655

IUPACN-(cyclopropylmethyl)-6-(3,5-dichloroanilino)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CC1)c1cnc(Nc2cc(Cl)cc(Cl)c2)cc1C(F)(F)F
InChIInChI=1S/C17H14Cl2F3N3O/c18-10-3-11(19)5-12(4-10)25-15-6-14(17(20,21)22)13(8-23-15)16(26)24-7-9-1-2-9/h3-6,8-9H,1-2,7H2,(H,23,25)(H,24,26)
InChIKeyKPGNXRIODXELBY-UHFFFAOYSA-N
MW404.22 g/mol
LogP5.29
Rot. Bonds5

About N-(cyclopropylmethyl)-6-(3,5-dichloroanilino)-4-(trifluoromethyl)pyridine-3-carboxamide

N-(cyclopropylmethyl)-6-(3,5-dichloroanilino)-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 69354655) has the molecular formula C17H14Cl2F3N3O and a molecular weight of 404.22 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-(3,5-dichloroanilino)-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-(3,5-dichloroanilino)-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID69354655
Molecular FormulaC17H14Cl2F3N3O
Molecular Weight404.22 g/mol
Exact Mass403.05
IUPAC NameN-(cyclopropylmethyl)-6-(3,5-dichloroanilino)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CC1)c1cnc(Nc2cc(Cl)cc(Cl)c2)cc1C(F)(F)F
InChIInChI=1S/C17H14Cl2F3N3O/c18-10-3-11(19)5-12(4-10)25-15-6-14(17(20,21)22)13(8-23-15)16(26)24-7-9-1-2-9/h3-6,8-9H,1-2,7H2,(H,23,25)(H,24,26)
InChIKeyKPGNXRIODXELBY-UHFFFAOYSA-N
XLogP5.29
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.22
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-anilino-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 69355285
6-anilino-N-(cyclobutylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 69354686
N-(cyclopentylmethyl)-6-(2,4-dichloroanilino)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 44570611
6-(5-chloro-2-hydroxyanilino)-N-(cyclobutylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 69355695
6-(3-chloroanilino)-N-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 69355064
6-(4-chloro-2-methylanilino)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 44570575
6-(3-chloroanilino)-N-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 10342262
6-[3,5-bis(trifluoromethyl)anilino]-4-ethyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide;ethane
CID 142877788
6-(3-chloroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide
CID 11233590
6-(3-chloro-4-fluoroanilino)-N-(cyclobutylmethyl)-4-cyclopropylpyridine-3-carboxamide
CID 11164693
N-(cyclopentylmethyl)-4-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 11750036
6-(3-chloro-4-methylanilino)-N-(cyclopropylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 59842343

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-(3,5-dichloroanilino)-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-6-(3,5-dichloroanilino)-4-(trifluoromethyl)pyridine-3-carboxamide (CID 69354655) is N-(cyclopropylmethyl)-6-(3,5-dichloroanilino)-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-6-(3,5-dichloroanilino)-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-6-(3,5-dichloroanilino)-4-(trifluoromethyl)pyridine-3-carboxamide is O=C(NCC1CC1)c1cnc(Nc2cc(Cl)cc(Cl)c2)cc1C(F)(F)F.
What is the InChIKey of N-(cyclopropylmethyl)-6-(3,5-dichloroanilino)-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is KPGNXRIODXELBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2F3N3O/c18-10-3-11(19)5-12(4-10)25-15-6-14(17(20,21)22)13(8-23-15)16(26)24-7-9-1-2-9/h3-6,8-9H,1-2,7H2,(H,23,25)(H,24,26).
What are the key properties of N-(cyclopropylmethyl)-6-(3,5-dichloroanilino)-4-(trifluoromethyl)pyridine-3-carboxamide?
N-(cyclopropylmethyl)-6-(3,5-dichloroanilino)-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 404.22 g/mol, XLogP of 5.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-(3,5-dichloroanilino)-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 69354655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).