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

C22H24N4O2 — CID 91889095

IUPAC3-(4-methoxyphenyl)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2cccc(-c3nnc4n3CCCC4)c2)cc1
InChIInChI=1S/C22H24N4O2/c1-28-19-11-8-16(9-12-19)10-13-21(27)23-18-6-4-5-17(15-18)22-25-24-20-7-2-3-14-26(20)22/h4-6,8-9,11-12,15H,2-3,7,10,13-14H2,1H3,(H,23,27)
InChIKeyOMRAMQCMAKFLHZ-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.86
Rot. Bonds6

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

3-(4-methoxyphenyl)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]propanamide (PubChem CID 91889095) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]propanamide
PubChem CID91889095
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name3-(4-methoxyphenyl)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2cccc(-c3nnc4n3CCCC4)c2)cc1
InChIInChI=1S/C22H24N4O2/c1-28-19-11-8-16(9-12-19)10-13-21(27)23-18-6-4-5-17(15-18)22-25-24-20-7-2-3-14-26(20)22/h4-6,8-9,11-12,15H,2-3,7,10,13-14H2,1H3,(H,23,27)
InChIKeyOMRAMQCMAKFLHZ-UHFFFAOYSA-N
XLogP3.86
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]propanamide (CID 91889095) is 3-(4-methoxyphenyl)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]propanamide is COc1ccc(CCC(=O)Nc2cccc(-c3nnc4n3CCCC4)c2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]propanamide?
The InChIKey is OMRAMQCMAKFLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-28-19-11-8-16(9-12-19)10-13-21(27)23-18-6-4-5-17(15-18)22-25-24-20-7-2-3-14-26(20)22/h4-6,8-9,11-12,15H,2-3,7,10,13-14H2,1H3,(H,23,27).
What are the key properties of 3-(4-methoxyphenyl)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]propanamide?
3-(4-methoxyphenyl)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]propanamide has a molecular weight of 376.46 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]propanamide is sourced from PubChem (CID 91889095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).