1-benzyl-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-5-methyltriazole-4-carboxamide

C20H19N7O — CID 56754198

IUPAC1-benzyl-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-5-methyltriazole-4-carboxamide
SMILESCc1c(C(=O)NCc2cccnc2-n2ccnc2)nnn1Cc1ccccc1
InChIInChI=1S/C20H19N7O/c1-15-18(24-25-27(15)13-16-6-3-2-4-7-16)20(28)23-12-17-8-5-9-22-19(17)26-11-10-21-14-26/h2-11,14H,12-13H2,1H3,(H,23,28)
InChIKeyUHICYKKQJOFIJX-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.15
Rot. Bonds6

About 1-benzyl-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-5-methyltriazole-4-carboxamide

1-benzyl-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-5-methyltriazole-4-carboxamide (PubChem CID 56754198) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 1-benzyl-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-5-methyltriazole-4-carboxamide
PubChem CID56754198
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name1-benzyl-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-5-methyltriazole-4-carboxamide
SMILESCc1c(C(=O)NCc2cccnc2-n2ccnc2)nnn1Cc1ccccc1
InChIInChI=1S/C20H19N7O/c1-15-18(24-25-27(15)13-16-6-3-2-4-7-16)20(28)23-12-17-8-5-9-22-19(17)26-11-10-21-14-26/h2-11,14H,12-13H2,1H3,(H,23,28)
InChIKeyUHICYKKQJOFIJX-UHFFFAOYSA-N
XLogP2.15
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-amino-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propanamide;dihydrochloride
CID 119848231
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CID 37185608
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-oxo-1H-quinoline-2-carboxamide
CID 154794418
3-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-methyl-1-[1-(4-methylphenyl)ethyl]urea
CID 136577380
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,6-dimethoxypyridine-3-carboxamide
CID 42512706
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide
CID 56711373
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 56812625
1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylguanidine
CID 99844699
1-(3-benzyl-4-methoxyphenyl)-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 112835925
1-benzyl-5-methyl-N-(4-phenylmethoxyphenyl)triazole-4-carboxamide
CID 42602961
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-5-methyltriazole-4-carboxamide
CID 66723765
2-[4-(difluoromethoxy)phenyl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide
CID 37192727

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-5-methyltriazole-4-carboxamide (CID 56754198) is 1-benzyl-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-5-methyltriazole-4-carboxamide is Cc1c(C(=O)NCc2cccnc2-n2ccnc2)nnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-5-methyltriazole-4-carboxamide?
The InChIKey is UHICYKKQJOFIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c1-15-18(24-25-27(15)13-16-6-3-2-4-7-16)20(28)23-12-17-8-5-9-22-19(17)26-11-10-21-14-26/h2-11,14H,12-13H2,1H3,(H,23,28).
What are the key properties of 1-benzyl-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-5-methyltriazole-4-carboxamide?
1-benzyl-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-5-methyltriazole-4-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 56754198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).