3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]-N-benzylbenzamide

C20H18N6O — CID 126650036

IUPAC3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]-N-benzylbenzamide
SMILESNc1cc(Cc2cccc(C(=O)NCc3ccccc3)c2)c2n[nH]nc2n1
InChIInChI=1S/C20H18N6O/c21-17-11-16(18-19(23-17)25-26-24-18)10-14-7-4-8-15(9-14)20(27)22-12-13-5-2-1-3-6-13/h1-9,11H,10,12H2,(H,22,27)(H3,21,23,24,25,26)
InChIKeyMQNYACZGURFYIY-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.46
Rot. Bonds5

About 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]-N-benzylbenzamide

3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]-N-benzylbenzamide (PubChem CID 126650036) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]-N-benzylbenzamide.

Molecular Properties

Compound Name3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]-N-benzylbenzamide
PubChem CID126650036
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]-N-benzylbenzamide
SMILESNc1cc(Cc2cccc(C(=O)NCc3ccccc3)c2)c2n[nH]nc2n1
InChIInChI=1S/C20H18N6O/c21-17-11-16(18-19(23-17)25-26-24-18)10-14-7-4-8-15(9-14)20(27)22-12-13-5-2-1-3-6-13/h1-9,11H,10,12H2,(H,22,27)(H3,21,23,24,25,26)
InChIKeyMQNYACZGURFYIY-UHFFFAOYSA-N
XLogP2.46
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Bay-1125976
CID 70817911
Morpholin-4-Yl[4-(Tetrazolo[1,5-A]quinoxalin-4-Ylamino)phenyl]methanone
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N-Benzyl-4-Methyl-1-Phenyl[1,2,4]triazolo[4,3-A]quinoxaline-8-Carboxamide
CID 71153223
7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 130450939
5-[(5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]-9-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
CID 10390188
7-(2-Amino-5-methylimidazo[1,5-b]pyridazin-7-yl)-1-phenyl-1-heptanone
CID 455580
7-[2-(Dimethylamino)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455582
3-fluoro-N-[3-[(2-fluorophenyl)methyl]-5-phenyltriazolo[4,5-d]pyrimidin-7-yl]benzamide
CID 71723581
4-amino-N-[3-[(2-fluorophenyl)methyl]-5-phenyltriazolo[4,5-d]pyrimidin-7-yl]benzamide
CID 71723720
5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-9-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
CID 10004489
5-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-9-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
CID 10479983
3-[6-amino-5-(1H-benzimidazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide
CID 127046319

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]-N-benzylbenzamide?
The IUPAC name of 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]-N-benzylbenzamide (CID 126650036) is 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]-N-benzylbenzamide.
What is the SMILES notation for 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]-N-benzylbenzamide?
The canonical SMILES for 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]-N-benzylbenzamide is Nc1cc(Cc2cccc(C(=O)NCc3ccccc3)c2)c2n[nH]nc2n1.
What is the InChIKey of 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]-N-benzylbenzamide?
The InChIKey is MQNYACZGURFYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c21-17-11-16(18-19(23-17)25-26-24-18)10-14-7-4-8-15(9-14)20(27)22-12-13-5-2-1-3-6-13/h1-9,11H,10,12H2,(H,22,27)(H3,21,23,24,25,26).
What are the key properties of 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]-N-benzylbenzamide?
3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]-N-benzylbenzamide has a molecular weight of 358.41 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]-N-benzylbenzamide is sourced from PubChem (CID 126650036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).