2-chloro-N-(2-ethylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide

C20H16ClN5O — CID 53067557

IUPAC2-chloro-N-(2-ethylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESCCc1ccccc1NC(=O)c1ccc(-n2nnc3cccnc32)cc1Cl
InChIInChI=1S/C20H16ClN5O/c1-2-13-6-3-4-7-17(13)23-20(27)15-10-9-14(12-16(15)21)26-19-18(24-25-26)8-5-11-22-19/h3-12H,2H2,1H3,(H,23,27)
InChIKeyISQOSWWQZPNDEM-UHFFFAOYSA-N
MW377.84 g/mol
LogP4.28
Rot. Bonds4

About 2-chloro-N-(2-ethylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide

2-chloro-N-(2-ethylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide (PubChem CID 53067557) has the molecular formula C20H16ClN5O and a molecular weight of 377.84 g/mol. Its IUPAC name is 2-chloro-N-(2-ethylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
PubChem CID53067557
Molecular FormulaC20H16ClN5O
Molecular Weight377.84 g/mol
Exact Mass377.10
IUPAC Name2-chloro-N-(2-ethylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESCCc1ccccc1NC(=O)c1ccc(-n2nnc3cccnc32)cc1Cl
InChIInChI=1S/C20H16ClN5O/c1-2-13-6-3-4-7-17(13)23-20(27)15-10-9-14(12-16(15)21)26-19-18(24-25-26)8-5-11-22-19/h3-12H,2H2,1H3,(H,23,27)
InChIKeyISQOSWWQZPNDEM-UHFFFAOYSA-N
XLogP4.28
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(2,5-difluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067593
2-chloro-N-(2-methoxy-5-methylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067576
N-(3-acetylphenyl)-2-chloro-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067570
2-chloro-N-(3-propylsulfanylpropyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067586
3-chloro-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 66462437
N-(5-chloro-2,4-dimethoxyphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53006189
N-(2-fluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53006193
N-(2-chloro-3-pyridinyl)-2-ethylbenzamide
CID 103817631
1-(2-chloro-5-methylphenyl)-N-(2-ethylphenyl)-5-methyltriazole-4-carboxamide
CID 16649119
N-(2-ethylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620518
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
N-(2-ethylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162961

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The IUPAC name of 2-chloro-N-(2-ethylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide (CID 53067557) is 2-chloro-N-(2-ethylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(2-ethylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The canonical SMILES for 2-chloro-N-(2-ethylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide is CCc1ccccc1NC(=O)c1ccc(-n2nnc3cccnc32)cc1Cl.
What is the InChIKey of 2-chloro-N-(2-ethylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The InChIKey is ISQOSWWQZPNDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O/c1-2-13-6-3-4-7-17(13)23-20(27)15-10-9-14(12-16(15)21)26-19-18(24-25-26)8-5-11-22-19/h3-12H,2H2,1H3,(H,23,27).
What are the key properties of 2-chloro-N-(2-ethylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
2-chloro-N-(2-ethylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide has a molecular weight of 377.84 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide is sourced from PubChem (CID 53067557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).