4-(4-methylphenyl)-6-(4-pentylphenyl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one

C24H25N5O — CID 137179185

IUPAC4-(4-methylphenyl)-6-(4-pentylphenyl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
SMILESCCCCCc1ccc(-c2cc(-c3ccc(C)cc3)c(-c3nn[nH]n3)c(=O)[nH]2)cc1
InChIInChI=1S/C24H25N5O/c1-3-4-5-6-17-9-13-19(14-10-17)21-15-20(18-11-7-16(2)8-12-18)22(24(30)25-21)23-26-28-29-27-23/h7-15H,3-6H2,1-2H3,(H,25,30)(H,26,27,28,29)
InChIKeyYMTVMMPDOGHKHL-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.93
Rot. Bonds7

About 4-(4-methylphenyl)-6-(4-pentylphenyl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one

4-(4-methylphenyl)-6-(4-pentylphenyl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one (PubChem CID 137179185) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 4-(4-methylphenyl)-6-(4-pentylphenyl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(4-methylphenyl)-6-(4-pentylphenyl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
PubChem CID137179185
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name4-(4-methylphenyl)-6-(4-pentylphenyl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
SMILESCCCCCc1ccc(-c2cc(-c3ccc(C)cc3)c(-c3nn[nH]n3)c(=O)[nH]2)cc1
InChIInChI=1S/C24H25N5O/c1-3-4-5-6-17-9-13-19(14-10-17)21-15-20(18-11-7-16(2)8-12-18)22(24(30)25-21)23-26-28-29-27-23/h7-15H,3-6H2,1-2H3,(H,25,30)(H,26,27,28,29)
InChIKeyYMTVMMPDOGHKHL-UHFFFAOYSA-N
XLogP4.93
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-6-(4-pentylphenyl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one?
The IUPAC name of 4-(4-methylphenyl)-6-(4-pentylphenyl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one (CID 137179185) is 4-(4-methylphenyl)-6-(4-pentylphenyl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(4-methylphenyl)-6-(4-pentylphenyl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one?
The canonical SMILES for 4-(4-methylphenyl)-6-(4-pentylphenyl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one is CCCCCc1ccc(-c2cc(-c3ccc(C)cc3)c(-c3nn[nH]n3)c(=O)[nH]2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-6-(4-pentylphenyl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one?
The InChIKey is YMTVMMPDOGHKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-3-4-5-6-17-9-13-19(14-10-17)21-15-20(18-11-7-16(2)8-12-18)22(24(30)25-21)23-26-28-29-27-23/h7-15H,3-6H2,1-2H3,(H,25,30)(H,26,27,28,29).
What are the key properties of 4-(4-methylphenyl)-6-(4-pentylphenyl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one?
4-(4-methylphenyl)-6-(4-pentylphenyl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one has a molecular weight of 399.50 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-6-(4-pentylphenyl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one is sourced from PubChem (CID 137179185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).