5-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-(3-methylphenyl)triazole-4-carboxamide

C21H21N7O — CID 55912886

IUPAC5-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-(3-methylphenyl)triazole-4-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)NCc3ccnc(-n4ccnc4C)c3)c2C)c1
InChIInChI=1S/C21H21N7O/c1-14-5-4-6-18(11-14)28-15(2)20(25-26-28)21(29)24-13-17-7-8-23-19(12-17)27-10-9-22-16(27)3/h4-12H,13H2,1-3H3,(H,24,29)
InChIKeyLCNFMXJFAOJOGI-UHFFFAOYSA-N
MW387.45 g/mol
LogP2.70
Rot. Bonds5

About 5-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-(3-methylphenyl)triazole-4-carboxamide

5-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-(3-methylphenyl)triazole-4-carboxamide (PubChem CID 55912886) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is 5-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-(3-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-(3-methylphenyl)triazole-4-carboxamide
PubChem CID55912886
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name5-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-(3-methylphenyl)triazole-4-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)NCc3ccnc(-n4ccnc4C)c3)c2C)c1
InChIInChI=1S/C21H21N7O/c1-14-5-4-6-18(11-14)28-15(2)20(25-26-28)21(29)24-13-17-7-8-23-19(12-17)27-10-9-22-16(27)3/h4-12H,13H2,1-3H3,(H,24,29)
InChIKeyLCNFMXJFAOJOGI-UHFFFAOYSA-N
XLogP2.70
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 55886189
5-methyl-1-(3-methylphenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide
CID 55857322
5-methyl-1-(3-methylphenyl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]triazole-4-carboxamide
CID 55880779
4-fluoro-3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-benzothiophene-2-carboxamide
CID 55716468
N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 51115815
5-amino-N-benzyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 3238804
2,3-dichloro-N-[1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide
CID 55743503
1-(3-chloro-4-methylphenyl)-N-[(3-chlorophenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858118
3-(benzylsulfamoyl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzamide
CID 55717730
tert-butyl N-[3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylcarbamoyl]phenyl]carbamate
CID 47036415
5-methyl-1-(3-methylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]triazole-4-carboxamide
CID 55856668
(E)-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]pent-2-enamide
CID 94122258

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-(3-methylphenyl)triazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-(3-methylphenyl)triazole-4-carboxamide (CID 55912886) is 5-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-(3-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-(3-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-(3-methylphenyl)triazole-4-carboxamide is Cc1cccc(-n2nnc(C(=O)NCc3ccnc(-n4ccnc4C)c3)c2C)c1.
What is the InChIKey of 5-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-(3-methylphenyl)triazole-4-carboxamide?
The InChIKey is LCNFMXJFAOJOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c1-14-5-4-6-18(11-14)28-15(2)20(25-26-28)21(29)24-13-17-7-8-23-19(12-17)27-10-9-22-16(27)3/h4-12H,13H2,1-3H3,(H,24,29).
What are the key properties of 5-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-(3-methylphenyl)triazole-4-carboxamide?
5-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-(3-methylphenyl)triazole-4-carboxamide has a molecular weight of 387.45 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-(3-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 55912886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).