4-[4-[(3-methylphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]morpholine-2-carboxamide

C20H22N6O2 — CID 154765095

IUPAC4-[4-[(3-methylphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]morpholine-2-carboxamide
SMILESCc1cccc(Cn2c(-c3cccnc3)nnc2N2CCOC(C(N)=O)C2)c1
InChIInChI=1S/C20H22N6O2/c1-14-4-2-5-15(10-14)12-26-19(16-6-3-7-22-11-16)23-24-20(26)25-8-9-28-17(13-25)18(21)27/h2-7,10-11,17H,8-9,12-13H2,1H3,(H2,21,27)
InChIKeySTLSRJXSASCIAR-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.39
Rot. Bonds5

About 4-[4-[(3-methylphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]morpholine-2-carboxamide

4-[4-[(3-methylphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]morpholine-2-carboxamide (PubChem CID 154765095) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 4-[4-[(3-methylphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[(3-methylphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]morpholine-2-carboxamide
PubChem CID154765095
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name4-[4-[(3-methylphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]morpholine-2-carboxamide
SMILESCc1cccc(Cn2c(-c3cccnc3)nnc2N2CCOC(C(N)=O)C2)c1
InChIInChI=1S/C20H22N6O2/c1-14-4-2-5-15(10-14)12-26-19(16-6-3-7-22-11-16)23-24-20(26)25-8-9-28-17(13-25)18(21)27/h2-7,10-11,17H,8-9,12-13H2,1H3,(H2,21,27)
InChIKeySTLSRJXSASCIAR-UHFFFAOYSA-N
XLogP1.39
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-[(3-methylphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]morpholine-2-carboxamide with MolForge

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Related Compounds

1-[4-[4-benzyl-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]piperazin-1-yl]ethanone
CID 126801295
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CID 47088132
4-(2-methyl-4-pyridinyl)morpholine-2-carboxamide
CID 133464225
1-[(3-methylphenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide
CID 27234910
(2S)-N-methyl-4-[(3-methylphenyl)methyl]-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92560858
N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 108984681
(1R,5S,6S)-3-[(3-methylphenyl)methyl]-N-pyridin-3-yl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 155900958
2-(3-methylphenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone
CID 155503401
1-[2-(3-methylphenyl)acetyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805777
(2R)-N-(pyridin-3-ylmethyl)-4-pyrimidin-5-ylmorpholine-2-carboxamide
CID 95826619
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 78806232
3-methyl-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 143494865

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-methylphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]morpholine-2-carboxamide?
The IUPAC name of 4-[4-[(3-methylphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]morpholine-2-carboxamide (CID 154765095) is 4-[4-[(3-methylphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]morpholine-2-carboxamide.
What is the SMILES notation for 4-[4-[(3-methylphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]morpholine-2-carboxamide?
The canonical SMILES for 4-[4-[(3-methylphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]morpholine-2-carboxamide is Cc1cccc(Cn2c(-c3cccnc3)nnc2N2CCOC(C(N)=O)C2)c1.
What is the InChIKey of 4-[4-[(3-methylphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]morpholine-2-carboxamide?
The InChIKey is STLSRJXSASCIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-14-4-2-5-15(10-14)12-26-19(16-6-3-7-22-11-16)23-24-20(26)25-8-9-28-17(13-25)18(21)27/h2-7,10-11,17H,8-9,12-13H2,1H3,(H2,21,27).
What are the key properties of 4-[4-[(3-methylphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]morpholine-2-carboxamide?
4-[4-[(3-methylphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]morpholine-2-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-methylphenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]morpholine-2-carboxamide is sourced from PubChem (CID 154765095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).