6-benzyl-N-[(1-methylimidazol-4-yl)methyl]pyridine-3-carboxamide

C18H18N4O — CID 110090871

IUPAC6-benzyl-N-[(1-methylimidazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCn1cnc(CNC(=O)c2ccc(Cc3ccccc3)nc2)c1
InChIInChI=1S/C18H18N4O/c1-22-12-17(21-13-22)11-20-18(23)15-7-8-16(19-10-15)9-14-5-3-2-4-6-14/h2-8,10,12-13H,9,11H2,1H3,(H,20,23)
InChIKeyCIBXHWYTVIBSOI-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.34
Rot. Bonds5

About 6-benzyl-N-[(1-methylimidazol-4-yl)methyl]pyridine-3-carboxamide

6-benzyl-N-[(1-methylimidazol-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 110090871) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 6-benzyl-N-[(1-methylimidazol-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-benzyl-N-[(1-methylimidazol-4-yl)methyl]pyridine-3-carboxamide
PubChem CID110090871
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name6-benzyl-N-[(1-methylimidazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCn1cnc(CNC(=O)c2ccc(Cc3ccccc3)nc2)c1
InChIInChI=1S/C18H18N4O/c1-22-12-17(21-13-22)11-20-18(23)15-7-8-16(19-10-15)9-14-5-3-2-4-6-14/h2-8,10,12-13H,9,11H2,1H3,(H,20,23)
InChIKeyCIBXHWYTVIBSOI-UHFFFAOYSA-N
XLogP2.34
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 3916665
ethane;2-methyl-N-[(1-methylimidazol-4-yl)methyl]propanamide
CID 176932121
6-benzyl-N-(1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 110091044
3-cyclobutyl-N-[(1-methylimidazol-4-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide
CID 58277851
2-[2-[(1-methylimidazol-4-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid
CID 135338773
2-[4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]imidazol-1-yl]benzoic acid
CID 110098584
6-(N-benzylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109157814
2-benzylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 156508030
N-benzyl-6-(3-methylbutylamino)pyridine-3-carboxamide
CID 109155596
8-(aminomethyl)-N-[(1-methylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 138011472
N-(3-phenylpropyl)-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 58769005
6-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-3-carboxamide
CID 109157548

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-N-[(1-methylimidazol-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-benzyl-N-[(1-methylimidazol-4-yl)methyl]pyridine-3-carboxamide (CID 110090871) is 6-benzyl-N-[(1-methylimidazol-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-benzyl-N-[(1-methylimidazol-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-benzyl-N-[(1-methylimidazol-4-yl)methyl]pyridine-3-carboxamide is Cn1cnc(CNC(=O)c2ccc(Cc3ccccc3)nc2)c1.
What is the InChIKey of 6-benzyl-N-[(1-methylimidazol-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is CIBXHWYTVIBSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-22-12-17(21-13-22)11-20-18(23)15-7-8-16(19-10-15)9-14-5-3-2-4-6-14/h2-8,10,12-13H,9,11H2,1H3,(H,20,23).
What are the key properties of 6-benzyl-N-[(1-methylimidazol-4-yl)methyl]pyridine-3-carboxamide?
6-benzyl-N-[(1-methylimidazol-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-N-[(1-methylimidazol-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 110090871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).