N-(1-benzylimidazol-2-yl)-6-ethoxypyridine-3-carboxamide

C18H18N4O2 — CID 51089674

IUPACN-(1-benzylimidazol-2-yl)-6-ethoxypyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2nccn2Cc2ccccc2)cn1
InChIInChI=1S/C18H18N4O2/c1-2-24-16-9-8-15(12-20-16)17(23)21-18-19-10-11-22(18)13-14-6-4-3-5-7-14/h3-12H,2,13H2,1H3,(H,19,21,23)
InChIKeyLHAHTFFNQOHQGC-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.98
Rot. Bonds6

About N-(1-benzylimidazol-2-yl)-6-ethoxypyridine-3-carboxamide

N-(1-benzylimidazol-2-yl)-6-ethoxypyridine-3-carboxamide (PubChem CID 51089674) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(1-benzylimidazol-2-yl)-6-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylimidazol-2-yl)-6-ethoxypyridine-3-carboxamide
PubChem CID51089674
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-(1-benzylimidazol-2-yl)-6-ethoxypyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2nccn2Cc2ccccc2)cn1
InChIInChI=1S/C18H18N4O2/c1-2-24-16-9-8-15(12-20-16)17(23)21-18-19-10-11-22(18)13-14-6-4-3-5-7-14/h3-12H,2,13H2,1H3,(H,19,21,23)
InChIKeyLHAHTFFNQOHQGC-UHFFFAOYSA-N
XLogP2.98
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylimidazol-2-yl)-2-phenylpyrimidine-5-carboxamide
CID 51126740
2-amino-N-(1-benzylimidazol-2-yl)-3-methylpentanamide
CID 119738614
6-ethoxy-N-(2-methoxypyrimidin-5-yl)pyridine-3-carboxamide
CID 122301635
N-[4-(2-amino-2-oxoethyl)phenyl]-6-ethoxypyridine-3-carboxamide
CID 87002406
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-6-ethoxypyridine-3-carboxamide
CID 87005498
6-ethoxy-N-[1-(phenylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 87034036
6-ethoxy-N-[2-(methanesulfonamido)phenyl]pyridine-3-carboxamide
CID 51088955
(2R)-N-(1-benzylimidazol-2-yl)oxolane-2-carboxamide
CID 94211931
N-(5-chloro-1-methylbenzimidazol-2-yl)-6-ethoxypyridine-3-carboxamide
CID 86868002
1-amino-N-(1-benzylimidazol-2-yl)cyclopropane-1-carboxamide
CID 119738584
4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylmethoxyphenyl)benzamide
CID 43922241
N-tert-butyl-6-ethoxypyridine-3-carboxamide
CID 47244667

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylimidazol-2-yl)-6-ethoxypyridine-3-carboxamide?
The IUPAC name of N-(1-benzylimidazol-2-yl)-6-ethoxypyridine-3-carboxamide (CID 51089674) is N-(1-benzylimidazol-2-yl)-6-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-(1-benzylimidazol-2-yl)-6-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-(1-benzylimidazol-2-yl)-6-ethoxypyridine-3-carboxamide is CCOc1ccc(C(=O)Nc2nccn2Cc2ccccc2)cn1.
What is the InChIKey of N-(1-benzylimidazol-2-yl)-6-ethoxypyridine-3-carboxamide?
The InChIKey is LHAHTFFNQOHQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-2-24-16-9-8-15(12-20-16)17(23)21-18-19-10-11-22(18)13-14-6-4-3-5-7-14/h3-12H,2,13H2,1H3,(H,19,21,23).
What are the key properties of N-(1-benzylimidazol-2-yl)-6-ethoxypyridine-3-carboxamide?
N-(1-benzylimidazol-2-yl)-6-ethoxypyridine-3-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylimidazol-2-yl)-6-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 51089674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).