3-imidazol-1-yl-N-(4-methoxycyclohexyl)-5-methylpyridine-2-carboxamide

C17H22N4O2 — CID 171474975

IUPAC3-imidazol-1-yl-N-(4-methoxycyclohexyl)-5-methylpyridine-2-carboxamide
SMILESCOC1CCC(NC(=O)c2ncc(C)cc2-n2ccnc2)CC1
InChIInChI=1S/C17H22N4O2/c1-12-9-15(21-8-7-18-11-21)16(19-10-12)17(22)20-13-3-5-14(23-2)6-4-13/h7-11,13-14H,3-6H2,1-2H3,(H,20,22)
InChIKeyZXVPHKDUQXZXLZ-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.26
Rot. Bonds4

About 3-imidazol-1-yl-N-(4-methoxycyclohexyl)-5-methylpyridine-2-carboxamide

3-imidazol-1-yl-N-(4-methoxycyclohexyl)-5-methylpyridine-2-carboxamide (PubChem CID 171474975) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-(4-methoxycyclohexyl)-5-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-imidazol-1-yl-N-(4-methoxycyclohexyl)-5-methylpyridine-2-carboxamide
PubChem CID171474975
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name3-imidazol-1-yl-N-(4-methoxycyclohexyl)-5-methylpyridine-2-carboxamide
SMILESCOC1CCC(NC(=O)c2ncc(C)cc2-n2ccnc2)CC1
InChIInChI=1S/C17H22N4O2/c1-12-9-15(21-8-7-18-11-21)16(19-10-12)17(22)20-13-3-5-14(23-2)6-4-13/h7-11,13-14H,3-6H2,1-2H3,(H,20,22)
InChIKeyZXVPHKDUQXZXLZ-UHFFFAOYSA-N
XLogP2.26
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-(4-methoxycyclohexyl)-5-methylpyridine-2-carboxamide?
The IUPAC name of 3-imidazol-1-yl-N-(4-methoxycyclohexyl)-5-methylpyridine-2-carboxamide (CID 171474975) is 3-imidazol-1-yl-N-(4-methoxycyclohexyl)-5-methylpyridine-2-carboxamide.
What is the SMILES notation for 3-imidazol-1-yl-N-(4-methoxycyclohexyl)-5-methylpyridine-2-carboxamide?
The canonical SMILES for 3-imidazol-1-yl-N-(4-methoxycyclohexyl)-5-methylpyridine-2-carboxamide is COC1CCC(NC(=O)c2ncc(C)cc2-n2ccnc2)CC1.
What is the InChIKey of 3-imidazol-1-yl-N-(4-methoxycyclohexyl)-5-methylpyridine-2-carboxamide?
The InChIKey is ZXVPHKDUQXZXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-9-15(21-8-7-18-11-21)16(19-10-12)17(22)20-13-3-5-14(23-2)6-4-13/h7-11,13-14H,3-6H2,1-2H3,(H,20,22).
What are the key properties of 3-imidazol-1-yl-N-(4-methoxycyclohexyl)-5-methylpyridine-2-carboxamide?
3-imidazol-1-yl-N-(4-methoxycyclohexyl)-5-methylpyridine-2-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-(4-methoxycyclohexyl)-5-methylpyridine-2-carboxamide is sourced from PubChem (CID 171474975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).