[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone

C20H24N4O — CID 167939408

IUPAC[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
SMILESCc1nc2n(n1)CC(C(=O)N1CC=C(c3ccccc3C)CC1)CC2
InChIInChI=1S/C20H24N4O/c1-14-5-3-4-6-18(14)16-9-11-23(12-10-16)20(25)17-7-8-19-21-15(2)22-24(19)13-17/h3-6,9,17H,7-8,10-13H2,1-2H3
InChIKeyLKNNQSKMBASTFX-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.77
Rot. Bonds2

About [4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone

[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone (PubChem CID 167939408) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is [4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
PubChem CID167939408
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
SMILESCc1nc2n(n1)CC(C(=O)N1CC=C(c3ccccc3C)CC1)CC2
InChIInChI=1S/C20H24N4O/c1-14-5-3-4-6-18(14)16-9-11-23(12-10-16)20(25)17-7-8-19-21-15(2)22-24(19)13-17/h3-6,9,17H,7-8,10-13H2,1-2H3
InChIKeyLKNNQSKMBASTFX-UHFFFAOYSA-N
XLogP2.77
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone?
The IUPAC name of [4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone (CID 167939408) is [4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone.
What is the SMILES notation for [4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone?
The canonical SMILES for [4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone is Cc1nc2n(n1)CC(C(=O)N1CC=C(c3ccccc3C)CC1)CC2.
What is the InChIKey of [4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone?
The InChIKey is LKNNQSKMBASTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14-5-3-4-6-18(14)16-9-11-23(12-10-16)20(25)17-7-8-19-21-15(2)22-24(19)13-17/h3-6,9,17H,7-8,10-13H2,1-2H3.
What are the key properties of [4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone?
[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone has a molecular weight of 336.44 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone is sourced from PubChem (CID 167939408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).