3-methyl-N-[(3-methylphenyl)methyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide

C21H19N5O — CID 53067625

IUPAC3-methyl-N-[(3-methylphenyl)methyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESCc1cccc(CNC(=O)c2ccc(-n3nnc4cccnc43)c(C)c2)c1
InChIInChI=1S/C21H19N5O/c1-14-5-3-6-16(11-14)13-23-21(27)17-8-9-19(15(2)12-17)26-20-18(24-25-26)7-4-10-22-20/h3-12H,13H2,1-2H3,(H,23,27)
InChIKeyCGSMLUUYRYBCLK-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.36
Rot. Bonds4

About 3-methyl-N-[(3-methylphenyl)methyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide

3-methyl-N-[(3-methylphenyl)methyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide (PubChem CID 53067625) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 3-methyl-N-[(3-methylphenyl)methyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide.

Molecular Properties

Compound Name3-methyl-N-[(3-methylphenyl)methyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
PubChem CID53067625
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name3-methyl-N-[(3-methylphenyl)methyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESCc1cccc(CNC(=O)c2ccc(-n3nnc4cccnc43)c(C)c2)c1
InChIInChI=1S/C21H19N5O/c1-14-5-3-6-16(11-14)13-23-21(27)17-8-9-19(15(2)12-17)26-20-18(24-25-26)7-4-10-22-20/h3-12H,13H2,1-2H3,(H,23,27)
InChIKeyCGSMLUUYRYBCLK-UHFFFAOYSA-N
XLogP3.36
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(4-methylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067645
N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067637
3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-[(3-methylphenyl)methyl]benzamide
CID 53148817
3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 38295590
2-chloro-N-[(3-fluorophenyl)methyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067588
4-N-(2-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046884
4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-[(3-methylphenyl)methyl]benzamide
CID 20908321
N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 110850770
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 90099980
N-[(3-methylphenyl)methyl]-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 53189896
2-methyl-N-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 110704167
2-hydrazinyl-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 62235984

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3-methylphenyl)methyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The IUPAC name of 3-methyl-N-[(3-methylphenyl)methyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide (CID 53067625) is 3-methyl-N-[(3-methylphenyl)methyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide.
What is the SMILES notation for 3-methyl-N-[(3-methylphenyl)methyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The canonical SMILES for 3-methyl-N-[(3-methylphenyl)methyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide is Cc1cccc(CNC(=O)c2ccc(-n3nnc4cccnc43)c(C)c2)c1.
What is the InChIKey of 3-methyl-N-[(3-methylphenyl)methyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The InChIKey is CGSMLUUYRYBCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-14-5-3-6-16(11-14)13-23-21(27)17-8-9-19(15(2)12-17)26-20-18(24-25-26)7-4-10-22-20/h3-12H,13H2,1-2H3,(H,23,27).
What are the key properties of 3-methyl-N-[(3-methylphenyl)methyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
3-methyl-N-[(3-methylphenyl)methyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide has a molecular weight of 357.42 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3-methylphenyl)methyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide is sourced from PubChem (CID 53067625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).