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

C20H20N4O2 — CID 91889100

IUPAC4-methoxy-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3nnc4n3CCCC4)c2)cc1
InChIInChI=1S/C20H20N4O2/c1-26-17-10-8-14(9-11-17)20(25)21-16-6-4-5-15(13-16)19-23-22-18-7-2-3-12-24(18)19/h4-6,8-11,13H,2-3,7,12H2,1H3,(H,21,25)
InChIKeySUVYUOZQPTVPPQ-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.54
Rot. Bonds4

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

4-methoxy-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide (PubChem CID 91889100) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-methoxy-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide
PubChem CID91889100
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name4-methoxy-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3nnc4n3CCCC4)c2)cc1
InChIInChI=1S/C20H20N4O2/c1-26-17-10-8-14(9-11-17)20(25)21-16-6-4-5-15(13-16)19-23-22-18-7-2-3-12-24(18)19/h4-6,8-11,13H,2-3,7,12H2,1H3,(H,21,25)
InChIKeySUVYUOZQPTVPPQ-UHFFFAOYSA-N
XLogP3.54
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3,4-dimethoxy-N-(3-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}phenyl)benzamide
CID 7217791
2-(4-methoxyphenyl)-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532425
3,4,5-trimethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 606794
methyl 3-[({[4-ethyl-5-(4-methoxybenzyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
CID 2215171
N-[2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzamide
CID 2964970
N-[(4-methoxyphenyl)methyl]-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]benzamide
CID 137647696
N-[(2-methoxyphenyl)methyl]-3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 137650435
3-[5-(4-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide
CID 141473885
3-[3-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide
CID 141473890
3-[3-ethyl-5-(6-methoxy-3-pyridinyl)-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide
CID 141473905
N-[2-[5-(2-anilino-2-oxoethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzamide
CID 1266204
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

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide (CID 91889100) is 4-methoxy-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide is COc1ccc(C(=O)Nc2cccc(-c3nnc4n3CCCC4)c2)cc1.
What is the InChIKey of 4-methoxy-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide?
The InChIKey is SUVYUOZQPTVPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-26-17-10-8-14(9-11-17)20(25)21-16-6-4-5-15(13-16)19-23-22-18-7-2-3-12-24(18)19/h4-6,8-11,13H,2-3,7,12H2,1H3,(H,21,25).
What are the key properties of 4-methoxy-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide?
4-methoxy-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide has a molecular weight of 348.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide is sourced from PubChem (CID 91889100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).