2-[cyclopropylmethyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide

C14H18F3N3O — CID 79875324

IUPAC2-[cyclopropylmethyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)N(CC1CC1)c1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C14H18F3N3O/c1-8(2)20(7-9-3-4-9)13-10(12(18)21)5-6-11(19-13)14(15,16)17/h5-6,8-9H,3-4,7H2,1-2H3,(H2,18,21)
InChIKeyYAQSAAIIKAEHRN-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.82
Rot. Bonds5

About 2-[cyclopropylmethyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide

2-[cyclopropylmethyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 79875324) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[cyclopropylmethyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID79875324
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name2-[cyclopropylmethyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)N(CC1CC1)c1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C14H18F3N3O/c1-8(2)20(7-9-3-4-9)13-10(12(18)21)5-6-11(19-13)14(15,16)17/h5-6,8-9H,3-4,7H2,1-2H3,(H2,18,21)
InChIKeyYAQSAAIIKAEHRN-UHFFFAOYSA-N
XLogP2.82
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-4,6-dimethylpyridine-3-carboxamide
CID 252216
2-(4-Fluoro-phenylamino)-4,6-dimethyl-nicotinamide
CID 686880
2-Butylamino-6-phenyl-4-trifluoromethyl-nicotinamide
CID 1904911
7-(trifluoromethyl)-1H,2H,3H,4H-pyrido(2,3-d)pyrimidine-2,4-dione
CID 12158110
4,6-Dimethyl-2-[(2-phenylethyl)amino]nicotinamide
CID 957649
N-(cyclopropylmethyl)-2-(2-methylpropylamino)-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine-3-carboxamide
CID 97520610
N-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 2796125
N-(5-methylpyridin-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 25511037
Nicotinamide, N,6-dimethyl-2-(p-toluidino)-
CID 3061038
Nicotinamide, 2-anilino-N-ethyl-6-methyl-
CID 3061040
Nicotinamide, 6-methyl-N-propyl-2-(p-toluidino)-
CID 3061041
Nicotinamide, 2-anilino-N-butyl-6-methyl-
CID 3061043

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[cyclopropylmethyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 79875324) is 2-[cyclopropylmethyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[cyclopropylmethyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[cyclopropylmethyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide is CC(C)N(CC1CC1)c1nc(C(F)(F)F)ccc1C(N)=O.
What is the InChIKey of 2-[cyclopropylmethyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is YAQSAAIIKAEHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-8(2)20(7-9-3-4-9)13-10(12(18)21)5-6-11(19-13)14(15,16)17/h5-6,8-9H,3-4,7H2,1-2H3,(H2,18,21).
What are the key properties of 2-[cyclopropylmethyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-[cyclopropylmethyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 301.31 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 79875324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).