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

C20H16ClN5O2 — CID 53067576

IUPAC2-chloro-N-(2-methoxy-5-methylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(-n2nnc3cccnc32)cc1Cl
InChIInChI=1S/C20H16ClN5O2/c1-12-5-8-18(28-2)17(10-12)23-20(27)14-7-6-13(11-15(14)21)26-19-16(24-25-26)4-3-9-22-19/h3-11H,1-2H3,(H,23,27)
InChIKeyCCZIWZHZDLGYEF-UHFFFAOYSA-N
MW393.83 g/mol
LogP4.04
Rot. Bonds4

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

2-chloro-N-(2-methoxy-5-methylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide (PubChem CID 53067576) has the molecular formula C20H16ClN5O2 and a molecular weight of 393.83 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxy-5-methylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-methoxy-5-methylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
PubChem CID53067576
Molecular FormulaC20H16ClN5O2
Molecular Weight393.83 g/mol
Exact Mass393.10
IUPAC Name2-chloro-N-(2-methoxy-5-methylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(-n2nnc3cccnc32)cc1Cl
InChIInChI=1S/C20H16ClN5O2/c1-12-5-8-18(28-2)17(10-12)23-20(27)14-7-6-13(11-15(14)21)26-19-16(24-25-26)4-3-9-22-19/h3-11H,1-2H3,(H,23,27)
InChIKeyCCZIWZHZDLGYEF-UHFFFAOYSA-N
XLogP4.04
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 54.04
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
N-(5-chloro-2,4-dimethoxyphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53006189
2-chloro-N-(2,5-difluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067593
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
2-chloro-N-[(3-fluorophenyl)methyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067588
N-(2-methoxy-5-methylphenyl)quinoxaline-5-carboxamide
CID 110701438
2-ethoxy-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 7962641
1-[(4-chlorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996326
2,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 965623
N-(3-chloro-2-pyridinyl)-2-methoxy-5-methylbenzamide
CID 113356136
2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-carboxamide
CID 61042493

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxy-5-methylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The IUPAC name of 2-chloro-N-(2-methoxy-5-methylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide (CID 53067576) is 2-chloro-N-(2-methoxy-5-methylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(2-methoxy-5-methylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The canonical SMILES for 2-chloro-N-(2-methoxy-5-methylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide is COc1ccc(C)cc1NC(=O)c1ccc(-n2nnc3cccnc32)cc1Cl.
What is the InChIKey of 2-chloro-N-(2-methoxy-5-methylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The InChIKey is CCZIWZHZDLGYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O2/c1-12-5-8-18(28-2)17(10-12)23-20(27)14-7-6-13(11-15(14)21)26-19-16(24-25-26)4-3-9-22-19/h3-11H,1-2H3,(H,23,27).
What are the key properties of 2-chloro-N-(2-methoxy-5-methylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
2-chloro-N-(2-methoxy-5-methylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide has a molecular weight of 393.83 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxy-5-methylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide is sourced from PubChem (CID 53067576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).