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

C20H14ClN5O2 — CID 53067570

IUPACN-(3-acetylphenyl)-2-chloro-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(-n3nnc4cccnc43)cc2Cl)c1
InChIInChI=1S/C20H14ClN5O2/c1-12(27)13-4-2-5-14(10-13)23-20(28)16-8-7-15(11-17(16)21)26-19-18(24-25-26)6-3-9-22-19/h2-11H,1H3,(H,23,28)
InChIKeyMABATGWZHOPIGC-UHFFFAOYSA-N
MW391.82 g/mol
LogP3.92
Rot. Bonds4

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

N-(3-acetylphenyl)-2-chloro-4-(triazolo[4,5-b]pyridin-3-yl)benzamide (PubChem CID 53067570) has the molecular formula C20H14ClN5O2 and a molecular weight of 391.82 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-chloro-4-(triazolo[4,5-b]pyridin-3-yl)benzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-chloro-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
PubChem CID53067570
Molecular FormulaC20H14ClN5O2
Molecular Weight391.82 g/mol
Exact Mass391.08
IUPAC NameN-(3-acetylphenyl)-2-chloro-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(-n3nnc4cccnc43)cc2Cl)c1
InChIInChI=1S/C20H14ClN5O2/c1-12(27)13-4-2-5-14(10-13)23-20(28)16-8-7-15(11-17(16)21)26-19-18(24-25-26)6-3-9-22-19/h2-11H,1H3,(H,23,28)
InChIKeyMABATGWZHOPIGC-UHFFFAOYSA-N
XLogP3.92
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.82
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(2-ethylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067557
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-methylsulfanylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067517
2-chloro-N-(3-propylsulfanylpropyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067586
N-(3-acetylphenyl)-2-methylpyridine-3-carboxamide
CID 78950839
3-methyl-N-(4-methylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067645
N-(5-chloro-2,4-dimethoxyphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53006189
N-(3-acetylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4151653
N-(3-acetylphenyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide
CID 55604602
N-(3-acetylphenyl)-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619897
N-(3-acetylphenyl)-2-chloro-5-methylsulfanylbenzamide
CID 34829216

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-chloro-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The IUPAC name of N-(3-acetylphenyl)-2-chloro-4-(triazolo[4,5-b]pyridin-3-yl)benzamide (CID 53067570) is N-(3-acetylphenyl)-2-chloro-4-(triazolo[4,5-b]pyridin-3-yl)benzamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-chloro-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The canonical SMILES for N-(3-acetylphenyl)-2-chloro-4-(triazolo[4,5-b]pyridin-3-yl)benzamide is CC(=O)c1cccc(NC(=O)c2ccc(-n3nnc4cccnc43)cc2Cl)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-chloro-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The InChIKey is MABATGWZHOPIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN5O2/c1-12(27)13-4-2-5-14(10-13)23-20(28)16-8-7-15(11-17(16)21)26-19-18(24-25-26)6-3-9-22-19/h2-11H,1H3,(H,23,28).
What are the key properties of N-(3-acetylphenyl)-2-chloro-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
N-(3-acetylphenyl)-2-chloro-4-(triazolo[4,5-b]pyridin-3-yl)benzamide has a molecular weight of 391.82 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-chloro-4-(triazolo[4,5-b]pyridin-3-yl)benzamide is sourced from PubChem (CID 53067570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).