N-benzyl-N-(2-hydroxyethyl)-6-imidazol-1-ylpyridine-3-carboxamide

C18H18N4O2 — CID 110886459

IUPACN-benzyl-N-(2-hydroxyethyl)-6-imidazol-1-ylpyridine-3-carboxamide
SMILESO=C(c1ccc(-n2ccnc2)nc1)N(CCO)Cc1ccccc1
InChIInChI=1S/C18H18N4O2/c23-11-10-21(13-15-4-2-1-3-5-15)18(24)16-6-7-17(20-12-16)22-9-8-19-14-22/h1-9,12,14,23H,10-11,13H2
InChIKeyLIFGZXZACCDHMR-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.90
Rot. Bonds6

About N-benzyl-N-(2-hydroxyethyl)-6-imidazol-1-ylpyridine-3-carboxamide

N-benzyl-N-(2-hydroxyethyl)-6-imidazol-1-ylpyridine-3-carboxamide (PubChem CID 110886459) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-6-imidazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-6-imidazol-1-ylpyridine-3-carboxamide
PubChem CID110886459
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-6-imidazol-1-ylpyridine-3-carboxamide
SMILESO=C(c1ccc(-n2ccnc2)nc1)N(CCO)Cc1ccccc1
InChIInChI=1S/C18H18N4O2/c23-11-10-21(13-15-4-2-1-3-5-15)18(24)16-6-7-17(20-12-16)22-9-8-19-14-22/h1-9,12,14,23H,10-11,13H2
InChIKeyLIFGZXZACCDHMR-UHFFFAOYSA-N
XLogP1.90
TPSA71.25 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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[ethyl-(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 61006797
N-(2-aminoethyl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;methanamine
CID 142231842
4-[[ethyl-[(6-imidazol-1-yl-3-pyridinyl)methyl]amino]methyl]-N,N-dimethylbenzamide
CID 167959324
N-ethyl-N-(pyridin-4-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 91952867
N-benzyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 110020225
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-phenylethyl)urea
CID 36507075
N-benzyl-6-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide
CID 113234599
N-ethyl-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152181
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(3-phenylpropyl)urea
CID 36509052
N,N-diethyl-6-pyrrol-1-ylpyridine-3-carboxamide
CID 10060343
N-(2,2-dimethylpropyl)-6-imidazol-1-yl-N-propan-2-ylpyridine-3-carboxamide
CID 23588390

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-6-imidazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-6-imidazol-1-ylpyridine-3-carboxamide (CID 110886459) is N-benzyl-N-(2-hydroxyethyl)-6-imidazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-6-imidazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-6-imidazol-1-ylpyridine-3-carboxamide is O=C(c1ccc(-n2ccnc2)nc1)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-6-imidazol-1-ylpyridine-3-carboxamide?
The InChIKey is LIFGZXZACCDHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-11-10-21(13-15-4-2-1-3-5-15)18(24)16-6-7-17(20-12-16)22-9-8-19-14-22/h1-9,12,14,23H,10-11,13H2.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-6-imidazol-1-ylpyridine-3-carboxamide?
N-benzyl-N-(2-hydroxyethyl)-6-imidazol-1-ylpyridine-3-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-6-imidazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 110886459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).