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

C20H17N5O2 — CID 53067502

IUPACN-(4-ethoxyphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(-n3nnc4cccnc43)cc2)cc1
InChIInChI=1S/C20H17N5O2/c1-2-27-17-11-7-15(8-12-17)22-20(26)14-5-9-16(10-6-14)25-19-18(23-24-25)4-3-13-21-19/h3-13H,2H2,1H3,(H,22,26)
InChIKeyZKFXLORDSUEMPW-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.47
Rot. Bonds5

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

N-(4-ethoxyphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide (PubChem CID 53067502) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
PubChem CID53067502
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC NameN-(4-ethoxyphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(-n3nnc4cccnc43)cc2)cc1
InChIInChI=1S/C20H17N5O2/c1-2-27-17-11-7-15(8-12-17)22-20(26)14-5-9-16(10-6-14)25-19-18(23-24-25)4-3-13-21-19/h3-13H,2H2,1H3,(H,22,26)
InChIKeyZKFXLORDSUEMPW-UHFFFAOYSA-N
XLogP3.47
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylsulfanylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067517
N-(4-ethoxyphenyl)-4-(5-methylpyrazol-1-yl)benzamide
CID 9043122
N-(2-fluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53006193
3-methyl-N-(4-methylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067645
4-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
CID 4607440
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
4-ethoxy-N-pyridin-4-ylbenzamide
CID 803153
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 60593095
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3,5-dimethylbenzamide
CID 7929215
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680
4-ethoxy-N-[4-(3-methylpyrazol-1-yl)phenyl]benzamide
CID 35590532
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide (CID 53067502) is N-(4-ethoxyphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide is CCOc1ccc(NC(=O)c2ccc(-n3nnc4cccnc43)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The InChIKey is ZKFXLORDSUEMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-2-27-17-11-7-15(8-12-17)22-20(26)14-5-9-16(10-6-14)25-19-18(23-24-25)4-3-13-21-19/h3-13H,2H2,1H3,(H,22,26).
What are the key properties of N-(4-ethoxyphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
N-(4-ethoxyphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide has a molecular weight of 359.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide is sourced from PubChem (CID 53067502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).