6-anilino-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide

C17H16F3N3O — CID 69355285

IUPAC6-anilino-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CC1)c1cnc(Nc2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C17H16F3N3O/c18-17(19,20)14-8-15(23-12-4-2-1-3-5-12)21-10-13(14)16(24)22-9-11-6-7-11/h1-5,8,10-11H,6-7,9H2,(H,21,23)(H,22,24)
InChIKeySMSUUKZDWRLVJM-UHFFFAOYSA-N
MW335.33 g/mol
LogP3.98
Rot. Bonds5

About 6-anilino-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide

6-anilino-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 69355285) has the molecular formula C17H16F3N3O and a molecular weight of 335.33 g/mol. Its IUPAC name is 6-anilino-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-anilino-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID69355285
Molecular FormulaC17H16F3N3O
Molecular Weight335.33 g/mol
Exact Mass335.12
IUPAC Name6-anilino-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CC1)c1cnc(Nc2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C17H16F3N3O/c18-17(19,20)14-8-15(23-12-4-2-1-3-5-12)21-10-13(14)16(24)22-9-11-6-7-11/h1-5,8,10-11H,6-7,9H2,(H,21,23)(H,22,24)
InChIKeySMSUUKZDWRLVJM-UHFFFAOYSA-N
XLogP3.98
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-anilino-N-(cyclobutylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 69354686
N-(cyclopropylmethyl)-6-(3,5-dichloroanilino)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 69354655
6-(3-chloroanilino)-N-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 69355064
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
N-(cyclopentylmethyl)-4-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 11750036
6-(4-chloro-2-methylanilino)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 44570575
6-(3-fluoroanilino)-N-(2-methylpropyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 69356121
N-(oxan-4-ylmethyl)-4-propan-2-yl-6-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide
CID 58731842
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

Frequently Asked Questions

What is the IUPAC name of 6-anilino-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 6-anilino-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide (CID 69355285) is 6-anilino-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-anilino-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-anilino-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide is O=C(NCC1CC1)c1cnc(Nc2ccccc2)cc1C(F)(F)F.
What is the InChIKey of 6-anilino-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is SMSUUKZDWRLVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O/c18-17(19,20)14-8-15(23-12-4-2-1-3-5-12)21-10-13(14)16(24)22-9-11-6-7-11/h1-5,8,10-11H,6-7,9H2,(H,21,23)(H,22,24).
What are the key properties of 6-anilino-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
6-anilino-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 335.33 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 69355285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).