N-butyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

C13H19F3N4O — CID 79352147

IUPACN-butyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C13H19F3N4O/c1-2-3-4-20(7-13(14,15)16)12(21)10-5-9-11(6-17-10)19-8-18-9/h8,10,17H,2-7H2,1H3,(H,18,19)
InChIKeyXKUPQWFRPOFCKN-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.62
Rot. Bonds5

About N-butyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

N-butyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 79352147) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is N-butyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID79352147
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC NameN-butyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C13H19F3N4O/c1-2-3-4-20(7-13(14,15)16)12(21)10-5-9-11(6-17-10)19-8-18-9/h8,10,17H,2-7H2,1H3,(H,18,19)
InChIKeyXKUPQWFRPOFCKN-UHFFFAOYSA-N
XLogP1.62
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylamino)propyl]-N-methylspiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,1'-cyclohexane]-6-carboxamide
CID 49830866
1H,4H,5H,6H,7H-imidazo(4,5-c)pyridine-6-carboxamide
CID 14859063
(6S)-N-cyclohexyl-6-(pyrrolidine-1-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 25338854
[(6S)-5-(cyclopropylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone
CID 25338909
(6S)-N-cyclohexyl-5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide
CID 25338911
2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-(2-oxoazepan-3-yl)acetamide
CID 53568118
3,5-di(propan-2-yl)-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 118738970
3-methyl-5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 118738971
2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)pentanediamide
CID 166632536
1-{1H,4H,5H,6H,7H-Imidazo[4,5-C]pyridin-5-YL}-3-methylbutan-1-one
CID 53145211
9a-hexyl-4,5,8,9-tetrahydro-3H-imidazo[4,5-g]indolizin-7-one
CID 11076232
11-Propan-2-yl-12-sulfanylidene-1,4,6,11-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),5-dien-10-one
CID 14403724

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-butyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 79352147) is N-butyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-butyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-butyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is CCCCN(CC(F)(F)F)C(=O)C1Cc2nc[nH]c2CN1.
What is the InChIKey of N-butyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is XKUPQWFRPOFCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-2-3-4-20(7-13(14,15)16)12(21)10-5-9-11(6-17-10)19-8-18-9/h8,10,17H,2-7H2,1H3,(H,18,19).
What are the key properties of N-butyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
N-butyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 79352147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).