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

C21H20N6O — CID 126650349

IUPAC3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]-N-(2-phenylethyl)benzamide
SMILESNc1cc(Cc2cccc(C(=O)NCCc3ccccc3)c2)c2n[nH]nc2n1
InChIInChI=1S/C21H20N6O/c22-18-13-17(19-20(24-18)26-27-25-19)12-15-7-4-8-16(11-15)21(28)23-10-9-14-5-2-1-3-6-14/h1-8,11,13H,9-10,12H2,(H,23,28)(H3,22,24,25,26,27)
InChIKeyFWJZGFJGRQIECE-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.50
Rot. Bonds6

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

3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]-N-(2-phenylethyl)benzamide (PubChem CID 126650349) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]-N-(2-phenylethyl)benzamide
PubChem CID126650349
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]-N-(2-phenylethyl)benzamide
SMILESNc1cc(Cc2cccc(C(=O)NCCc3ccccc3)c2)c2n[nH]nc2n1
InChIInChI=1S/C21H20N6O/c22-18-13-17(19-20(24-18)26-27-25-19)12-15-7-4-8-16(11-15)21(28)23-10-9-14-5-2-1-3-6-14/h1-8,11,13H,9-10,12H2,(H,23,28)(H3,22,24,25,26,27)
InChIKeyFWJZGFJGRQIECE-UHFFFAOYSA-N
XLogP2.50
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.50
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
CID 22432631
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-(2-phenylethyl)benzamide?
The IUPAC name of 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]-N-(2-phenylethyl)benzamide (CID 126650349) is 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]-N-(2-phenylethyl)benzamide is Nc1cc(Cc2cccc(C(=O)NCCc3ccccc3)c2)c2n[nH]nc2n1.
What is the InChIKey of 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]-N-(2-phenylethyl)benzamide?
The InChIKey is FWJZGFJGRQIECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c22-18-13-17(19-20(24-18)26-27-25-19)12-15-7-4-8-16(11-15)21(28)23-10-9-14-5-2-1-3-6-14/h1-8,11,13H,9-10,12H2,(H,23,28)(H3,22,24,25,26,27).
What are the key properties of 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]-N-(2-phenylethyl)benzamide?
3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]-N-(2-phenylethyl)benzamide has a molecular weight of 372.43 g/mol, XLogP of 2.50, 6 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-(2-phenylethyl)benzamide is sourced from PubChem (CID 126650349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).