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

C20H17N5O — CID 737755

IUPACN-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]pyridine-3-carboxamide
SMILESCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccnc4)cc3n2)cc1
InChIInChI=1S/C20H17N5O/c1-13-5-7-16(8-6-13)25-23-18-10-14(2)17(11-19(18)24-25)22-20(26)15-4-3-9-21-12-15/h3-12H,1-2H3,(H,22,26)
InChIKeyWBWNVYGBLGETIH-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.68
Rot. Bonds3

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

N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]pyridine-3-carboxamide (PubChem CID 737755) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]pyridine-3-carboxamide
PubChem CID737755
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]pyridine-3-carboxamide
SMILESCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccnc4)cc3n2)cc1
InChIInChI=1S/C20H17N5O/c1-13-5-7-16(8-6-13)25-23-18-10-14(2)17(11-19(18)24-25)22-20(26)15-4-3-9-21-12-15/h3-12H,1-2H3,(H,22,26)
InChIKeyWBWNVYGBLGETIH-UHFFFAOYSA-N
XLogP3.68
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(5-Ethyl-3-Pyridin-3-Yl-1h-Pyrazol-1-Yl)phenyl]pyridine-3-Carboxamide
CID 9820664
N-[2-(dimethylamino)ethyl]-1H-pyrazolo[5,4-a]phenazine-10-carboxamide
CID 9902222
1-Methyl-1H-pyrazolo[3,4-alpha]phenazine-10-carboxylic acid (2-dimethylamino-ethyl)-amide
CID 9946290
N-(2,3-dimethylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 16193945
4-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-pyridinyl)benzamide
CID 826943
N-[2-(dimethylamino)ethyl]-3H-pyrazolo[4,5-a]phenazine-10-carboxamide
CID 9945601
Pyrazino[2,3-alpha]phenazine-11-carboxylic acid (2-dimethylamino-ethyl)-amide
CID 9968070
3-Methyl-3H-Pyrazol[4,3-alpha]phenazine-10-carboxylic acid (2-dimethylamino-ethyl)-amide
CID 10269234
3-Methyl-3H-pyrrolo[3,2-alpha]phenazine-10-carboxylic acid (2-dimethylamino-ethyl)-amide
CID 10958968
2-(4-(pyridin-4-ylmethylcarbamoyl)phenyl)-2H-indazole-7-carboxamide
CID 46226283
2-(4-(pyridin-4-ylcarbamoyl)phenyl)-2H-indazole-7-carboxamide
CID 46226284
4-(Benzylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide
CID 68291866

Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]pyridine-3-carboxamide?
The IUPAC name of N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]pyridine-3-carboxamide (CID 737755) is N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]pyridine-3-carboxamide is Cc1ccc(-n2nc3cc(C)c(NC(=O)c4cccnc4)cc3n2)cc1.
What is the InChIKey of N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]pyridine-3-carboxamide?
The InChIKey is WBWNVYGBLGETIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-13-5-7-16(8-6-13)25-23-18-10-14(2)17(11-19(18)24-25)22-20(26)15-4-3-9-21-12-15/h3-12H,1-2H3,(H,22,26).
What are the key properties of N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]pyridine-3-carboxamide?
N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]pyridine-3-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 737755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).