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

C16H15N5O — CID 136539853

IUPAC3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide
SMILESCn1nncc1C(=O)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C16H15N5O/c1-21-15(11-18-20-21)16(22)19-14-4-2-12(3-5-14)10-13-6-8-17-9-7-13/h2-9,11H,10H2,1H3,(H,19,22)
InChIKeyWSPHSHRFQCXZGV-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.05
Rot. Bonds4

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

3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide (PubChem CID 136539853) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide
PubChem CID136539853
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide
SMILESCn1nncc1C(=O)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C16H15N5O/c1-21-15(11-18-20-21)16(22)19-14-4-2-12(3-5-14)10-13-6-8-17-9-7-13/h2-9,11H,10H2,1H3,(H,19,22)
InChIKeyWSPHSHRFQCXZGV-UHFFFAOYSA-N
XLogP2.05
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[4-(pyridin-4-ylmethoxy)phenyl]triazole-4-carboxamide
CID 136539914
1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 136522811
3-[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19491929
N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 47102790
N-[4-(benzylamino)-3-chlorophenyl]-3-methyltriazole-4-carboxamide
CID 136540023
2,2-dimethyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 2995900
5,6-dichloro-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide
CID 46799163
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-methyltriazole-4-carboxamide
CID 100680707
2-[3-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19501958
2-amino-2-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 110460952
3-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazine-2,3-dicarboxamide
CID 154744382
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 135399372

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide (CID 136539853) is 3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide is Cn1nncc1C(=O)Nc1ccc(Cc2ccncc2)cc1.
What is the InChIKey of 3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide?
The InChIKey is WSPHSHRFQCXZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-21-15(11-18-20-21)16(22)19-14-4-2-12(3-5-14)10-13-6-8-17-9-7-13/h2-9,11H,10H2,1H3,(H,19,22).
What are the key properties of 3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide?
3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 136539853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).