3-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide

C15H12F3N5O — CID 176501294

IUPAC3-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCn1cnc2cc(C(=O)NCc3ccc(C(F)(F)F)nc3)cnc21
InChIInChI=1S/C15H12F3N5O/c1-23-8-22-11-4-10(7-20-13(11)23)14(24)21-6-9-2-3-12(19-5-9)15(16,17)18/h2-5,7-8H,6H2,1H3,(H,21,24)
InChIKeyOYSULFFRLJWCOQ-UHFFFAOYSA-N
MW335.29 g/mol
LogP2.31
Rot. Bonds3

About 3-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide

3-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 176501294) has the molecular formula C15H12F3N5O and a molecular weight of 335.29 g/mol. Its IUPAC name is 3-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID176501294
Molecular FormulaC15H12F3N5O
Molecular Weight335.29 g/mol
Exact Mass335.10
IUPAC Name3-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCn1cnc2cc(C(=O)NCc3ccc(C(F)(F)F)nc3)cnc21
InChIInChI=1S/C15H12F3N5O/c1-23-8-22-11-4-10(7-20-13(11)23)14(24)21-6-9-2-3-12(19-5-9)15(16,17)18/h2-5,7-8H,6H2,1H3,(H,21,24)
InChIKeyOYSULFFRLJWCOQ-UHFFFAOYSA-N
XLogP2.31
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176503834
N-[(4-ethoxy-3-methylphenyl)methyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 75499936
4-(methylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
CID 71197021
N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122162686
N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 75524263
N-(cyanomethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 138042785
3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 75499926
3-cyclopropyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 175640437
N-(2-hydroxy-4-methylpentyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 110013000
6-amino-5-[(2,6-dichlorophenyl)methoxy]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 58886296
[3-(4-methylphenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]phenyl]methanesulfinate
CID 174733775
N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122162248

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 3-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 176501294) is 3-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 3-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide is Cn1cnc2cc(C(=O)NCc3ccc(C(F)(F)F)nc3)cnc21.
What is the InChIKey of 3-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is OYSULFFRLJWCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O/c1-23-8-22-11-4-10(7-20-13(11)23)14(24)21-6-9-2-3-12(19-5-9)15(16,17)18/h2-5,7-8H,6H2,1H3,(H,21,24).
What are the key properties of 3-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide?
3-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 335.29 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 176501294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).