[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone

C20H19N5O — CID 51091736

IUPAC[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
SMILESCc1ccc(C2=CCN(C(=O)c3ccnc(-n4cncn4)c3)CC2)cc1
InChIInChI=1S/C20H19N5O/c1-15-2-4-16(5-3-15)17-7-10-24(11-8-17)20(26)18-6-9-22-19(12-18)25-14-21-13-23-25/h2-7,9,12-14H,8,10-11H2,1H3
InChIKeyWXEXKQNFCGRPMG-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.90
Rot. Bonds3

About [4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone

[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone (PubChem CID 51091736) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is [4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
PubChem CID51091736
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
SMILESCc1ccc(C2=CCN(C(=O)c3ccnc(-n4cncn4)c3)CC2)cc1
InChIInChI=1S/C20H19N5O/c1-15-2-4-16(5-3-15)17-7-10-24(11-8-17)20(26)18-6-9-22-19(12-18)25-14-21-13-23-25/h2-7,9,12-14H,8,10-11H2,1H3
InChIKeyWXEXKQNFCGRPMG-UHFFFAOYSA-N
XLogP2.90
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone with MolForge

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Related Compounds

N-tert-butyl-4-[2-(1,2,4-triazol-1-yl)pyridine-4-carbonyl]piperazine-1-carboxamide
CID 166221581
[(2R)-2,4-dimethylpiperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 97094220
[(3R)-3-ethoxypiperidin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 95582872
(2-fluoro-4-pyridinyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 61292889
(2-propan-2-ylthiomorpholin-4-yl)-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 71993613
2,3,4,5-tetrahydro-1-benzazepin-1-yl-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 51093174
(2-pyridin-4-ylpyrrolidin-1-yl)-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 51091752
(3,4-dichlorophenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 2568947
[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 94571761
4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid
CID 113352940
(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 71987124
N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94571784

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone?
The IUPAC name of [4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone (CID 51091736) is [4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone.
What is the SMILES notation for [4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone?
The canonical SMILES for [4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone is Cc1ccc(C2=CCN(C(=O)c3ccnc(-n4cncn4)c3)CC2)cc1.
What is the InChIKey of [4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone?
The InChIKey is WXEXKQNFCGRPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-15-2-4-16(5-3-15)17-7-10-24(11-8-17)20(26)18-6-9-22-19(12-18)25-14-21-13-23-25/h2-7,9,12-14H,8,10-11H2,1H3.
What are the key properties of [4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone?
[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone has a molecular weight of 345.41 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone is sourced from PubChem (CID 51091736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).