3,5-dimethoxy-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide

C21H22N4O3 — CID 91889035

IUPAC3,5-dimethoxy-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)c1
InChIInChI=1S/C21H22N4O3/c1-27-17-11-15(12-18(13-17)28-2)21(26)22-16-8-6-14(7-9-16)20-24-23-19-5-3-4-10-25(19)20/h6-9,11-13H,3-5,10H2,1-2H3,(H,22,26)
InChIKeyUUVXANZPOBMTHH-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.55
Rot. Bonds5

About 3,5-dimethoxy-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide

3,5-dimethoxy-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide (PubChem CID 91889035) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide
PubChem CID91889035
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name3,5-dimethoxy-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)c1
InChIInChI=1S/C21H22N4O3/c1-27-17-11-15(12-18(13-17)28-2)21(26)22-16-8-6-14(7-9-16)20-24-23-19-5-3-4-10-25(19)20/h6-9,11-13H,3-5,10H2,1-2H3,(H,22,26)
InChIKeyUUVXANZPOBMTHH-UHFFFAOYSA-N
XLogP3.55
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-trimethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 606794
3,4-dimethoxy-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
CID 2085165
(E)-3-(2,4-dimethoxyphenyl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]prop-2-enamide
CID 2386270
N-(4-acetylphenyl)-3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 16008292
3,4,5-Triethoxy-N-(4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-A]azepin-3-YL}phenyl)benzamide
CID 16021459
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide
CID 16008437
N-[2-(2-Ethyl-2H-tetrazol-5-yl)-phenyl]-3,5-dimethoxy-benzamide
CID 645686
4-methoxy-N~1~-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
CID 2669746
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-phenylpropanamide
CID 16008710
4-Methoxy-N-(3-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-A]pyridin-3-YL}phenyl)benzamide
CID 91889100
3-(4-Methoxyphenyl)-N-(3-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-A]pyridin-3-YL}phenyl)propanamide
CID 91889095
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-methylphenyl)propanamide
CID 16008711

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide (CID 91889035) is 3,5-dimethoxy-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide is COc1cc(OC)cc(C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide?
The InChIKey is UUVXANZPOBMTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-27-17-11-15(12-18(13-17)28-2)21(26)22-16-8-6-14(7-9-16)20-24-23-19-5-3-4-10-25(19)20/h6-9,11-13H,3-5,10H2,1-2H3,(H,22,26).
What are the key properties of 3,5-dimethoxy-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide?
3,5-dimethoxy-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide has a molecular weight of 378.43 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide is sourced from PubChem (CID 91889035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).