2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C14H15F3N4O — CID 46981446

IUPAC2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NCCn1ccnc1C
InChIInChI=1S/C14H15F3N4O/c1-9-11(3-4-12(20-9)14(15,16)17)13(22)19-6-8-21-7-5-18-10(21)2/h3-5,7H,6,8H2,1-2H3,(H,19,22)
InChIKeyXRAQZMZTJZEUNO-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.34
Rot. Bonds4

About 2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide

2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 46981446) has the molecular formula C14H15F3N4O and a molecular weight of 312.30 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID46981446
Molecular FormulaC14H15F3N4O
Molecular Weight312.30 g/mol
Exact Mass312.12
IUPAC Name2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NCCn1ccnc1C
InChIInChI=1S/C14H15F3N4O/c1-9-11(3-4-12(20-9)14(15,16)17)13(22)19-6-8-21-7-5-18-10(21)2/h3-5,7H,6,8H2,1-2H3,(H,19,22)
InChIKeyXRAQZMZTJZEUNO-UHFFFAOYSA-N
XLogP2.34
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 119382029
3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 119140189
2-methyl-N-(2-methylsulfanylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 69438762
N-(3-aminobutyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 119494830
2-methyl-N-(3-propoxypropyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 69437945
N-cyclohexyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31852499
3,5-difluoro-N-[2-(2-methylimidazol-1-yl)ethyl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154884947
2-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 55595371
N-(4-hydroxycyclohexyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 134004658
1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 2782900
N-[4-(hydroxymethyl)cyclooctyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 162582023
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 120944494

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 46981446) is 2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)NCCn1ccnc1C.
What is the InChIKey of 2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is XRAQZMZTJZEUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O/c1-9-11(3-4-12(20-9)14(15,16)17)13(22)19-6-8-21-7-5-18-10(21)2/h3-5,7H,6,8H2,1-2H3,(H,19,22).
What are the key properties of 2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 312.30 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 46981446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).