N-butan-2-yl-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide

C17H22F3N5O — CID 46286636

IUPACN-butan-2-yl-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCC(n2c(C(F)(F)F)nc3cccnc32)CC1
InChIInChI=1S/C17H22F3N5O/c1-3-11(2)22-16(26)24-9-6-12(7-10-24)25-14-13(5-4-8-21-14)23-15(25)17(18,19)20/h4-5,8,11-12H,3,6-7,9-10H2,1-2H3,(H,22,26)
InChIKeyNIWLWHQIRLRYCC-UHFFFAOYSA-N
MW369.39 g/mol
LogP3.60
Rot. Bonds3

About N-butan-2-yl-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide

N-butan-2-yl-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide (PubChem CID 46286636) has the molecular formula C17H22F3N5O and a molecular weight of 369.39 g/mol. Its IUPAC name is N-butan-2-yl-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide
PubChem CID46286636
Molecular FormulaC17H22F3N5O
Molecular Weight369.39 g/mol
Exact Mass369.18
IUPAC NameN-butan-2-yl-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCC(n2c(C(F)(F)F)nc3cccnc32)CC1
InChIInChI=1S/C17H22F3N5O/c1-3-11(2)22-16(26)24-9-6-12(7-10-24)25-14-13(5-4-8-21-14)23-15(25)17(18,19)20/h4-5,8,11-12H,3,6-7,9-10H2,1-2H3,(H,22,26)
InChIKeyNIWLWHQIRLRYCC-UHFFFAOYSA-N
XLogP3.60
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-butan-2-yl-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-butan-2-yl-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide (CID 46286636) is N-butan-2-yl-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-butan-2-yl-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide is CCC(C)NC(=O)N1CCC(n2c(C(F)(F)F)nc3cccnc32)CC1.
What is the InChIKey of N-butan-2-yl-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide?
The InChIKey is NIWLWHQIRLRYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N5O/c1-3-11(2)22-16(26)24-9-6-12(7-10-24)25-14-13(5-4-8-21-14)23-15(25)17(18,19)20/h4-5,8,11-12H,3,6-7,9-10H2,1-2H3,(H,22,26).
What are the key properties of N-butan-2-yl-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide?
N-butan-2-yl-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide has a molecular weight of 369.39 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 46286636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).