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

C20H16ClN5O3 — CID 53006189

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESCOc1cc(OC)c(NC(=O)c2ccc(-n3nnc4cccnc43)cc2)cc1Cl
InChIInChI=1S/C20H16ClN5O3/c1-28-17-11-18(29-2)16(10-14(17)21)23-20(27)12-5-7-13(8-6-12)26-19-15(24-25-26)4-3-9-22-19/h3-11H,1-2H3,(H,23,27)
InChIKeyIRNZNGDTVANTME-UHFFFAOYSA-N
MW409.83 g/mol
LogP3.74
Rot. Bonds5

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

N-(5-chloro-2,4-dimethoxyphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide (PubChem CID 53006189) has the molecular formula C20H16ClN5O3 and a molecular weight of 409.83 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
PubChem CID53006189
Molecular FormulaC20H16ClN5O3
Molecular Weight409.83 g/mol
Exact Mass409.09
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESCOc1cc(OC)c(NC(=O)c2ccc(-n3nnc4cccnc43)cc2)cc1Cl
InChIInChI=1S/C20H16ClN5O3/c1-28-17-11-18(29-2)16(10-14(17)21)23-20(27)12-5-7-13(8-6-12)26-19-15(24-25-26)4-3-9-22-19/h3-11H,1-2H3,(H,23,27)
InChIKeyIRNZNGDTVANTME-UHFFFAOYSA-N
XLogP3.74
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.83
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-(2-methoxy-5-methylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067576
N-(2-fluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53006193
N-(5-chloro-2,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 26877253
N-(5-chloro-2,4-dimethoxyphenyl)-4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzamide
CID 42057925
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
N-(3-methylsulfanylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067517
N-(5-chloro-2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 836286
2-chloro-N-(2-ethylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067557
ethyl 5-amino-1-[4-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363346
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53006218
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(5-methylpyrazol-1-yl)benzamide
CID 9270943
N-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 39964617

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide (CID 53006189) is N-(5-chloro-2,4-dimethoxyphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide is COc1cc(OC)c(NC(=O)c2ccc(-n3nnc4cccnc43)cc2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The InChIKey is IRNZNGDTVANTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O3/c1-28-17-11-18(29-2)16(10-14(17)21)23-20(27)12-5-7-13(8-6-12)26-19-15(24-25-26)4-3-9-22-19/h3-11H,1-2H3,(H,23,27).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
N-(5-chloro-2,4-dimethoxyphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide has a molecular weight of 409.83 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide is sourced from PubChem (CID 53006189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).