2-[4-[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine

C20H23N5O — CID 11337030

IUPAC2-[4-[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
SMILESCOc1ccc(-n2c(C)nnc2C2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C20H23N5O/c1-15-22-23-20(25(15)17-6-8-18(26-2)9-7-17)16-10-13-24(14-11-16)19-5-3-4-12-21-19/h3-9,12,16H,10-11,13-14H2,1-2H3
InChIKeyKAEOYJPYGWYJDV-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.36
Rot. Bonds4

About 2-[4-[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine

2-[4-[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine (PubChem CID 11337030) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-[4-[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine.

Molecular Properties

Compound Name2-[4-[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
PubChem CID11337030
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-[4-[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
SMILESCOc1ccc(-n2c(C)nnc2C2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C20H23N5O/c1-15-22-23-20(25(15)17-6-8-18(26-2)9-7-17)16-10-13-24(14-11-16)19-5-3-4-12-21-19/h3-9,12,16H,10-11,13-14H2,1-2H3
InChIKeyKAEOYJPYGWYJDV-UHFFFAOYSA-N
XLogP3.36
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-Methoxyphenyl)-1-piperazinyl]pyrimidine
CID 198995
2,4-Disubstituted Pyrimidine 2g
CID 5329420
5-(3-(4-(3,5-difluoro-2-methylphenoxy)piperidin-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl)-2-methoxypyridine
CID 46225048
Acetamide, N-(4-methoxyphenyl)-2-((4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl)thio)-
CID 1023251
4-[(1E)-{2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazin-1-ylidene}methyl]pyridine
CID 91038379
4-[(1E)-{2-[1-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazin-1-ylidene}methyl]pyridine
CID 91582777
1-(2-methoxyphenyl)-4-((1-(pyridin-2-yl)-1H-pyrazol-4-yl)methyl)piperazine
CID 44412482
3-(5-methyl-4-(4-(3-(piperidin-1-yl)propoxy)phenyl)-4H-1,2,4-triazol-3-yl)pyridine
CID 71712245
5-fluoro-2-N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 122180029
1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 866545
3-(6-Methoxy-3-pyridyl)-5-[4-(1,2,4-triazol-1-yl)phenyl]pyridin-2-amine
CID 71457443
1-benzyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 656061

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The IUPAC name of 2-[4-[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine (CID 11337030) is 2-[4-[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine.
What is the SMILES notation for 2-[4-[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The canonical SMILES for 2-[4-[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine is COc1ccc(-n2c(C)nnc2C2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of 2-[4-[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The InChIKey is KAEOYJPYGWYJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15-22-23-20(25(15)17-6-8-18(26-2)9-7-17)16-10-13-24(14-11-16)19-5-3-4-12-21-19/h3-9,12,16H,10-11,13-14H2,1-2H3.
What are the key properties of 2-[4-[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
2-[4-[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine has a molecular weight of 349.44 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine is sourced from PubChem (CID 11337030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).