2-imidazol-1-yl-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide

C18H18N4O — CID 51089957

IUPAC2-imidazol-1-yl-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
SMILESCc1ccccc1CN(C)C(=O)c1ccnc(-n2ccnc2)c1
InChIInChI=1S/C18H18N4O/c1-14-5-3-4-6-16(14)12-21(2)18(23)15-7-8-20-17(11-15)22-10-9-19-13-22/h3-11,13H,12H2,1-2H3
InChIKeyKUQYVYCTXVJEPC-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.85
Rot. Bonds4

About 2-imidazol-1-yl-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide

2-imidazol-1-yl-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide (PubChem CID 51089957) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
PubChem CID51089957
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name2-imidazol-1-yl-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
SMILESCc1ccccc1CN(C)C(=O)c1ccnc(-n2ccnc2)c1
InChIInChI=1S/C18H18N4O/c1-14-5-3-4-6-16(14)12-21(2)18(23)15-7-8-20-17(11-15)22-10-9-19-13-22/h3-11,13H,12H2,1-2H3
InChIKeyKUQYVYCTXVJEPC-UHFFFAOYSA-N
XLogP2.85
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-imidazol-1-yl-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide
CID 51085889
2-(ethylamino)-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 62175582
2-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 115115897
N-(2,3-dihydro-1H-inden-1-yl)-2-imidazol-1-yl-N-methylpyridine-4-carboxamide
CID 51085905
3-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 60636386
N-[(2-bromophenyl)methyl]-4-imidazol-1-yl-N-methyl-3-nitrobenzamide
CID 39716474
N-cyclobutyl-N-(cyclopropylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 166222406
2-imidazol-1-yl-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide
CID 94816782
N-[2-(dimethylamino)-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 51089973
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 94815477
4-fluoro-N,3-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 63213046
3-amino-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 61094065

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-imidazol-1-yl-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide (CID 51089957) is 2-imidazol-1-yl-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-imidazol-1-yl-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-imidazol-1-yl-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide is Cc1ccccc1CN(C)C(=O)c1ccnc(-n2ccnc2)c1.
What is the InChIKey of 2-imidazol-1-yl-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is KUQYVYCTXVJEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-14-5-3-4-6-16(14)12-21(2)18(23)15-7-8-20-17(11-15)22-10-9-19-13-22/h3-11,13H,12H2,1-2H3.
What are the key properties of 2-imidazol-1-yl-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide?
2-imidazol-1-yl-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 51089957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).