N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide

C16H15N5O — CID 75485191

IUPACN-methyl-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide
SMILESCN(Cc1cccnc1)C(=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C16H15N5O/c1-20(12-13-6-5-9-17-10-13)16(22)15-11-18-21(19-15)14-7-3-2-4-8-14/h2-11H,12H2,1H3
InChIKeyBWNSABSXPLOHSZ-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.93
Rot. Bonds4

About N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide

N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide (PubChem CID 75485191) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide
PubChem CID75485191
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC NameN-methyl-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide
SMILESCN(Cc1cccnc1)C(=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C16H15N5O/c1-20(12-13-6-5-9-17-10-13)16(22)15-11-18-21(19-15)14-7-3-2-4-8-14/h2-11H,12H2,1H3
InChIKeyBWNSABSXPLOHSZ-UHFFFAOYSA-N
XLogP1.93
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethylphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide
CID 99146934
N-methyl-6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 78852401
N-methyl-N-[(2-methylphenyl)methyl]-2-phenyltriazole-4-carboxamide
CID 18114006
N,N-dimethyl-2-phenyltriazole-4-carboxamide
CID 22103711
N-butyl-N-methyl-2-phenyltriazole-4-carboxamide
CID 110702374
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-phenyltriazole-4-carboxamide
CID 51177702
N,2,5-trimethyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide
CID 78784155
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
N-benzyl-N-(2-methoxyethyl)-2-phenyltriazole-4-carboxamide
CID 8891778
2-[(2-phenyltriazole-4-carbonyl)-propan-2-ylamino]acetic acid
CID 60830670
2-methyl-6-[methyl(pyridin-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid
CID 43563869
2-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 47097163

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide?
The IUPAC name of N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide (CID 75485191) is N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide is CN(Cc1cccnc1)C(=O)c1cnn(-c2ccccc2)n1.
What is the InChIKey of N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide?
The InChIKey is BWNSABSXPLOHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-20(12-13-6-5-9-17-10-13)16(22)15-11-18-21(19-15)14-7-3-2-4-8-14/h2-11H,12H2,1H3.
What are the key properties of N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide?
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 75485191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).