N-[2-(1-benzylimidazol-2-yl)ethyl]pyridine-3-carboxamide

C18H18N4O — CID 134039644

IUPACN-[2-(1-benzylimidazol-2-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1nccn1Cc1ccccc1)c1cccnc1
InChIInChI=1S/C18H18N4O/c23-18(16-7-4-9-19-13-16)21-10-8-17-20-11-12-22(17)14-15-5-2-1-3-6-15/h1-7,9,11-13H,8,10,14H2,(H,21,23)
InChIKeyLLJABXVBJVFFGM-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.30
Rot. Bonds6

About N-[2-(1-benzylimidazol-2-yl)ethyl]pyridine-3-carboxamide

N-[2-(1-benzylimidazol-2-yl)ethyl]pyridine-3-carboxamide (PubChem CID 134039644) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[2-(1-benzylimidazol-2-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylimidazol-2-yl)ethyl]pyridine-3-carboxamide
PubChem CID134039644
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-[2-(1-benzylimidazol-2-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1nccn1Cc1ccccc1)c1cccnc1
InChIInChI=1S/C18H18N4O/c23-18(16-7-4-9-19-13-16)21-10-8-17-20-11-12-22(17)14-15-5-2-1-3-6-15/h1-7,9,11-13H,8,10,14H2,(H,21,23)
InChIKeyLLJABXVBJVFFGM-UHFFFAOYSA-N
XLogP2.30
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-benzylimidazol-2-yl)ethyl]-3-phenoxybenzamide
CID 25358093
N-[2-(1-benzylimidazol-2-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 134027595
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 43059032
N-[2-(1-benzylimidazol-2-yl)ethyl]furan-2-carboxamide
CID 134039640
N-[2-(1-benzylimidazol-2-yl)ethyl]-4-[(prop-2-enoylamino)methyl]benzamide
CID 86839804
N-[2-(1-benzylimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 134039597
N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane
CID 144709422
N-[2-(1-benzylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 134039749
N-[2-(1-benzylimidazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134027547
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(benzylsulfamoyl)benzamide
CID 134027622
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-chloro-4,5-difluorobenzamide
CID 134039701
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-methoxybenzamide
CID 134027438

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]pyridine-3-carboxamide (CID 134039644) is N-[2-(1-benzylimidazol-2-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1-benzylimidazol-2-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(1-benzylimidazol-2-yl)ethyl]pyridine-3-carboxamide is O=C(NCCc1nccn1Cc1ccccc1)c1cccnc1.
What is the InChIKey of N-[2-(1-benzylimidazol-2-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is LLJABXVBJVFFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c23-18(16-7-4-9-19-13-16)21-10-8-17-20-11-12-22(17)14-15-5-2-1-3-6-15/h1-7,9,11-13H,8,10,14H2,(H,21,23).
What are the key properties of N-[2-(1-benzylimidazol-2-yl)ethyl]pyridine-3-carboxamide?
N-[2-(1-benzylimidazol-2-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylimidazol-2-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 134039644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).