N-(4-methoxycyclohexyl)-6-[2-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide

C17H19F3N4O2 — CID 171474977

IUPACN-(4-methoxycyclohexyl)-6-[2-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide
SMILESCOC1CCC(NC(=O)c2cccc(-n3ccnc3C(F)(F)F)n2)CC1
InChIInChI=1S/C17H19F3N4O2/c1-26-12-7-5-11(6-8-12)22-15(25)13-3-2-4-14(23-13)24-10-9-21-16(24)17(18,19)20/h2-4,9-12H,5-8H2,1H3,(H,22,25)
InChIKeyBVGZXVVDNMVRCL-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.97
Rot. Bonds4

About N-(4-methoxycyclohexyl)-6-[2-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide

N-(4-methoxycyclohexyl)-6-[2-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide (PubChem CID 171474977) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is N-(4-methoxycyclohexyl)-6-[2-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxycyclohexyl)-6-[2-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide
PubChem CID171474977
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC NameN-(4-methoxycyclohexyl)-6-[2-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide
SMILESCOC1CCC(NC(=O)c2cccc(-n3ccnc3C(F)(F)F)n2)CC1
InChIInChI=1S/C17H19F3N4O2/c1-26-12-7-5-11(6-8-12)22-15(25)13-3-2-4-14(23-13)24-10-9-21-16(24)17(18,19)20/h2-4,9-12H,5-8H2,1H3,(H,22,25)
InChIKeyBVGZXVVDNMVRCL-UHFFFAOYSA-N
XLogP2.97
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxycyclohexyl)-6-[2-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-(4-methoxycyclohexyl)-6-[2-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide (CID 171474977) is N-(4-methoxycyclohexyl)-6-[2-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-methoxycyclohexyl)-6-[2-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-(4-methoxycyclohexyl)-6-[2-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide is COC1CCC(NC(=O)c2cccc(-n3ccnc3C(F)(F)F)n2)CC1.
What is the InChIKey of N-(4-methoxycyclohexyl)-6-[2-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide?
The InChIKey is BVGZXVVDNMVRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c1-26-12-7-5-11(6-8-12)22-15(25)13-3-2-4-14(23-13)24-10-9-21-16(24)17(18,19)20/h2-4,9-12H,5-8H2,1H3,(H,22,25).
What are the key properties of N-(4-methoxycyclohexyl)-6-[2-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide?
N-(4-methoxycyclohexyl)-6-[2-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide has a molecular weight of 368.36 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxycyclohexyl)-6-[2-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 171474977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).