3-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide

C17H15F3N4O — CID 176503834

IUPAC3-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCn1cnc2cc(C(=O)NCCc3ccc(C(F)(F)F)cc3)cnc21
InChIInChI=1S/C17H15F3N4O/c1-24-10-23-14-8-12(9-22-15(14)24)16(25)21-7-6-11-2-4-13(5-3-11)17(18,19)20/h2-5,8-10H,6-7H2,1H3,(H,21,25)
InChIKeyRTWUFPYNTYUXIW-UHFFFAOYSA-N
MW348.33 g/mol
LogP2.96
Rot. Bonds4

About 3-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide

3-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 176503834) has the molecular formula C17H15F3N4O and a molecular weight of 348.33 g/mol. Its IUPAC name is 3-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID176503834
Molecular FormulaC17H15F3N4O
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC Name3-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCn1cnc2cc(C(=O)NCCc3ccc(C(F)(F)F)cc3)cnc21
InChIInChI=1S/C17H15F3N4O/c1-24-10-23-14-8-12(9-22-15(14)24)16(25)21-7-6-11-2-4-13(5-3-11)17(18,19)20/h2-5,8-10H,6-7H2,1H3,(H,21,25)
InChIKeyRTWUFPYNTYUXIW-UHFFFAOYSA-N
XLogP2.96
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 31337743
2,4-dioxo-1-propyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 37137967
6-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 27006412
N-(cyanomethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 138042785
N-[2-(4-chlorophenyl)ethyl]-1-methylbenzimidazole-5-carboxamide
CID 110692599
4-(methoxymethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 30843162
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
N-[2-(4-methoxyphenyl)ethyl]-1-methylbenzimidazole-5-carboxamide
CID 110692591
N-[(4-ethoxy-3-methylphenyl)methyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 75499936
N-(2-methoxyethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 11465893
N-[2-(1H-pyrrol-3-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 110789374
N-(2-hydroxy-4-methylpentyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 110013000

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 3-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 176503834) is 3-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 3-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide is Cn1cnc2cc(C(=O)NCCc3ccc(C(F)(F)F)cc3)cnc21.
What is the InChIKey of 3-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is RTWUFPYNTYUXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O/c1-24-10-23-14-8-12(9-22-15(14)24)16(25)21-7-6-11-2-4-13(5-3-11)17(18,19)20/h2-5,8-10H,6-7H2,1H3,(H,21,25).
What are the key properties of 3-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide?
3-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 348.33 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 176503834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).