N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]pyridine-3-carboxamide

C19H14ClN5O — CID 1071621

IUPACN-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]pyridine-3-carboxamide
SMILESCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4cccnc4)cc3n2)cc1
InChIInChI=1S/C19H14ClN5O/c1-12-4-6-14(7-5-12)25-23-17-9-15(20)16(10-18(17)24-25)22-19(26)13-3-2-8-21-11-13/h2-11H,1H3,(H,22,26)
InChIKeyOLKIFRUXSNIAOB-UHFFFAOYSA-N
MW363.81 g/mol
LogP4.03
Rot. Bonds3

About N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]pyridine-3-carboxamide

N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]pyridine-3-carboxamide (PubChem CID 1071621) has the molecular formula C19H14ClN5O and a molecular weight of 363.81 g/mol. Its IUPAC name is N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]pyridine-3-carboxamide
PubChem CID1071621
Molecular FormulaC19H14ClN5O
Molecular Weight363.81 g/mol
Exact Mass363.09
IUPAC NameN-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]pyridine-3-carboxamide
SMILESCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4cccnc4)cc3n2)cc1
InChIInChI=1S/C19H14ClN5O/c1-12-4-6-14(7-5-12)25-23-17-9-15(20)16(10-18(17)24-25)22-19(26)13-3-2-8-21-11-13/h2-11H,1H3,(H,22,26)
InChIKeyOLKIFRUXSNIAOB-UHFFFAOYSA-N
XLogP4.03
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]pyridine-3-carboxamide?
The IUPAC name of N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]pyridine-3-carboxamide (CID 1071621) is N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]pyridine-3-carboxamide is Cc1ccc(-n2nc3cc(Cl)c(NC(=O)c4cccnc4)cc3n2)cc1.
What is the InChIKey of N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]pyridine-3-carboxamide?
The InChIKey is OLKIFRUXSNIAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O/c1-12-4-6-14(7-5-12)25-23-17-9-15(20)16(10-18(17)24-25)22-19(26)13-3-2-8-21-11-13/h2-11H,1H3,(H,22,26).
What are the key properties of N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]pyridine-3-carboxamide?
N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]pyridine-3-carboxamide has a molecular weight of 363.81 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 1071621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).