2-[(5-methyl-2-phenyltriazole-4-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid

C18H17N5O3 — CID 24805230

IUPAC2-[(5-methyl-2-phenyltriazole-4-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid
SMILESCc1nn(-c2ccccc2)nc1C(=O)N(CC(=O)O)Cc1ccccn1
InChIInChI=1S/C18H17N5O3/c1-13-17(21-23(20-13)15-8-3-2-4-9-15)18(26)22(12-16(24)25)11-14-7-5-6-10-19-14/h2-10H,11-12H2,1H3,(H,24,25)
InChIKeyHBQONDDWNBWETL-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.70
Rot. Bonds6

About 2-[(5-methyl-2-phenyltriazole-4-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid

2-[(5-methyl-2-phenyltriazole-4-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid (PubChem CID 24805230) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 2-[(5-methyl-2-phenyltriazole-4-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-methyl-2-phenyltriazole-4-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid
PubChem CID24805230
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name2-[(5-methyl-2-phenyltriazole-4-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid
SMILESCc1nn(-c2ccccc2)nc1C(=O)N(CC(=O)O)Cc1ccccn1
InChIInChI=1S/C18H17N5O3/c1-13-17(21-23(20-13)15-8-3-2-4-9-15)18(26)22(12-16(24)25)11-14-7-5-6-10-19-14/h2-10H,11-12H2,1H3,(H,24,25)
InChIKeyHBQONDDWNBWETL-UHFFFAOYSA-N
XLogP1.70
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(5-methyl-2-phenyltriazole-4-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2,2-dimethylpropanoyl(pyridin-2-ylmethyl)amino]acetic acid
CID 20627822
2-[(2-chloro-4-methyl-1,3-thiazole-5-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid
CID 68715608
2-[[2-(4-bromophenyl)-5-methyl-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid
CID 24802747
2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid
CID 44570996
2-[[5-(chloromethyl)-2-phenyl-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid
CID 68708511
N-ethyl-5-methyl-N-(2-methylphenyl)-2-phenyltriazole-4-carboxamide
CID 46550128
2-[benzoyl-[[3-[(5-methyl-2-phenyltriazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid
CID 20770904
acetic acid;2-[bis(pyridin-2-ylmethyl)amino]acetic acid
CID 162118901
2-[ethyl(pyridin-2-ylmethylcarbamoyl)amino]acetic acid
CID 61191924
N-benzyl-N-butan-2-yl-5-methyl-2-phenyltriazole-4-carboxamide
CID 43025121
N-ethyl-2-iodo-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 103741244
2-[[5-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid
CID 44570875

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2-phenyltriazole-4-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[(5-methyl-2-phenyltriazole-4-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid (CID 24805230) is 2-[(5-methyl-2-phenyltriazole-4-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-methyl-2-phenyltriazole-4-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[(5-methyl-2-phenyltriazole-4-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid is Cc1nn(-c2ccccc2)nc1C(=O)N(CC(=O)O)Cc1ccccn1.
What is the InChIKey of 2-[(5-methyl-2-phenyltriazole-4-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid?
The InChIKey is HBQONDDWNBWETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-13-17(21-23(20-13)15-8-3-2-4-9-15)18(26)22(12-16(24)25)11-14-7-5-6-10-19-14/h2-10H,11-12H2,1H3,(H,24,25).
What are the key properties of 2-[(5-methyl-2-phenyltriazole-4-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid?
2-[(5-methyl-2-phenyltriazole-4-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid has a molecular weight of 351.37 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2-phenyltriazole-4-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid is sourced from PubChem (CID 24805230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).