N-(2-methoxyphenyl)-1-methylbenzotriazole-5-carboxamide

C15H14N4O2 — CID 1088600

IUPACN-(2-methoxyphenyl)-1-methylbenzotriazole-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc2c(c1)nnn2C
InChIInChI=1S/C15H14N4O2/c1-19-13-8-7-10(9-12(13)17-18-19)15(20)16-11-5-3-4-6-14(11)21-2/h3-9H,1-2H3,(H,16,20)
InChIKeyPNMQAMJBTQULHL-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.23
Rot. Bonds3

About N-(2-methoxyphenyl)-1-methylbenzotriazole-5-carboxamide

N-(2-methoxyphenyl)-1-methylbenzotriazole-5-carboxamide (PubChem CID 1088600) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1-methylbenzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1-methylbenzotriazole-5-carboxamide
PubChem CID1088600
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC NameN-(2-methoxyphenyl)-1-methylbenzotriazole-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc2c(c1)nnn2C
InChIInChI=1S/C15H14N4O2/c1-19-13-8-7-10(9-12(13)17-18-19)15(20)16-11-5-3-4-6-14(11)21-2/h3-9H,1-2H3,(H,16,20)
InChIKeyPNMQAMJBTQULHL-UHFFFAOYSA-N
XLogP2.23
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methoxyphenyl)-1-methylbenzotriazole-5-carboxamide 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

1-(4-Methoxybenzoyl)-1H-benzotriazole
CID 710644
Propan-2-yl 4-[(1-ethylbenzotriazole-5-carbonyl)amino]benzoate
CID 9100473
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide
CID 4802476
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzo[c][1,2,5]oxadiazole-5-carboxamide
CID 11618408
1-Cyclopentyl-N-[(2-methoxyphenyl)methyl]-1H-1,2,3-benzotriazole-5-carboxamide
CID 16024634
Ethyl 3-(1-ethyl-1H-1,2,3-benzotriazole-5-amido)benzoate
CID 16024913
N-[4-[3-(2-Methoxyphenyl)piperazin-1-yl]propyl]-2,1,3-benzoxadiazole-5-carboxamide
CID 44589129
N-[4-[4-(2-(2-Fluoroethoxy)phenyl)piperazin-1-yl]butyl]-2,1,3-benzoxadiazole-5-carboxamide
CID 44589178
N-(4-methoxyphenyl)-N,1-dimethylbenzotriazole-5-carboxamide
CID 1088599
N-(2-methoxyphenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 1131190
N-(2-methoxyphenyl)-2,3-dimethyl-6-quinoxalinecarboxamide
CID 2231787
N-(3-methoxyphenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 3163527

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1-methylbenzotriazole-5-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-1-methylbenzotriazole-5-carboxamide (CID 1088600) is N-(2-methoxyphenyl)-1-methylbenzotriazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-1-methylbenzotriazole-5-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-1-methylbenzotriazole-5-carboxamide is COc1ccccc1NC(=O)c1ccc2c(c1)nnn2C.
What is the InChIKey of N-(2-methoxyphenyl)-1-methylbenzotriazole-5-carboxamide?
The InChIKey is PNMQAMJBTQULHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-19-13-8-7-10(9-12(13)17-18-19)15(20)16-11-5-3-4-6-14(11)21-2/h3-9H,1-2H3,(H,16,20).
What are the key properties of N-(2-methoxyphenyl)-1-methylbenzotriazole-5-carboxamide?
N-(2-methoxyphenyl)-1-methylbenzotriazole-5-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1-methylbenzotriazole-5-carboxamide is sourced from PubChem (CID 1088600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).