N-[cyclobutyl(phenyl)methyl]-1-(pyridin-3-ylmethyl)triazole-4-carboxamide

C20H21N5O — CID 71870730

IUPACN-[cyclobutyl(phenyl)methyl]-1-(pyridin-3-ylmethyl)triazole-4-carboxamide
SMILESO=C(NC(c1ccccc1)C1CCC1)c1cn(Cc2cccnc2)nn1
InChIInChI=1S/C20H21N5O/c26-20(18-14-25(24-23-18)13-15-6-5-11-21-12-15)22-19(17-9-4-10-17)16-7-2-1-3-8-16/h1-3,5-8,11-12,14,17,19H,4,9-10,13H2,(H,22,26)
InChIKeyLKHFWFIJIIGERZ-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.99
Rot. Bonds6

About N-[cyclobutyl(phenyl)methyl]-1-(pyridin-3-ylmethyl)triazole-4-carboxamide

N-[cyclobutyl(phenyl)methyl]-1-(pyridin-3-ylmethyl)triazole-4-carboxamide (PubChem CID 71870730) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[cyclobutyl(phenyl)methyl]-1-(pyridin-3-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[cyclobutyl(phenyl)methyl]-1-(pyridin-3-ylmethyl)triazole-4-carboxamide
PubChem CID71870730
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-[cyclobutyl(phenyl)methyl]-1-(pyridin-3-ylmethyl)triazole-4-carboxamide
SMILESO=C(NC(c1ccccc1)C1CCC1)c1cn(Cc2cccnc2)nn1
InChIInChI=1S/C20H21N5O/c26-20(18-14-25(24-23-18)13-15-6-5-11-21-12-15)22-19(17-9-4-10-17)16-7-2-1-3-8-16/h1-3,5-8,11-12,14,17,19H,4,9-10,13H2,(H,22,26)
InChIKeyLKHFWFIJIIGERZ-UHFFFAOYSA-N
XLogP2.99
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[cyclohexyl(phenyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 47031415
N-[(S)-cyclohexyl(phenyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 52501297
1-[(S)-cyclopentyl(phenyl)methyl]-3-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]urea
CID 97237571
1-benzyl-N-[2-(dimethylamino)-1-phenylethyl]triazole-4-carboxamide
CID 86917770
1-benzyl-N'-(cyclopropanecarbonyl)triazole-4-carbohydrazide
CID 36706465
N-[(2S)-2-cyclopentyl-2-phenylethyl]-2-pyridin-3-ylacetamide
CID 95213041
1-benzyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]triazole-4-carboxamide
CID 51647259
(1-benzyltriazol-4-yl)-cyclohexylmethanone
CID 71763813
N-[(S)-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]benzamide
CID 92574131
1-benzyl-N-(2-tert-butylcyclohexyl)triazole-4-carboxamide
CID 43060445
N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyltriazole-4-carboxamide
CID 119574287
1-benzyltriazole-4-carbonyl chloride
CID 87720228

Frequently Asked Questions

What is the IUPAC name of N-[cyclobutyl(phenyl)methyl]-1-(pyridin-3-ylmethyl)triazole-4-carboxamide?
The IUPAC name of N-[cyclobutyl(phenyl)methyl]-1-(pyridin-3-ylmethyl)triazole-4-carboxamide (CID 71870730) is N-[cyclobutyl(phenyl)methyl]-1-(pyridin-3-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for N-[cyclobutyl(phenyl)methyl]-1-(pyridin-3-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for N-[cyclobutyl(phenyl)methyl]-1-(pyridin-3-ylmethyl)triazole-4-carboxamide is O=C(NC(c1ccccc1)C1CCC1)c1cn(Cc2cccnc2)nn1.
What is the InChIKey of N-[cyclobutyl(phenyl)methyl]-1-(pyridin-3-ylmethyl)triazole-4-carboxamide?
The InChIKey is LKHFWFIJIIGERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c26-20(18-14-25(24-23-18)13-15-6-5-11-21-12-15)22-19(17-9-4-10-17)16-7-2-1-3-8-16/h1-3,5-8,11-12,14,17,19H,4,9-10,13H2,(H,22,26).
What are the key properties of N-[cyclobutyl(phenyl)methyl]-1-(pyridin-3-ylmethyl)triazole-4-carboxamide?
N-[cyclobutyl(phenyl)methyl]-1-(pyridin-3-ylmethyl)triazole-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclobutyl(phenyl)methyl]-1-(pyridin-3-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 71870730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).