2-methyl-2,4-bis(4-methylphenyl)-5-(2H-tetrazol-5-yl)-1,3-dihydropyridin-6-one

C21H21N5O — CID 122362681

IUPAC2-methyl-2,4-bis(4-methylphenyl)-5-(2H-tetrazol-5-yl)-1,3-dihydropyridin-6-one
SMILESCc1ccc(C2=C(c3nn[nH]n3)C(=O)NC(C)(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C21H21N5O/c1-13-4-8-15(9-5-13)17-12-21(3,16-10-6-14(2)7-11-16)22-20(27)18(17)19-23-25-26-24-19/h4-11H,12H2,1-3H3,(H,22,27)(H,23,24,25,26)
InChIKeyDIJUYHBIXUHDIO-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.16
Rot. Bonds3

About 2-methyl-2,4-bis(4-methylphenyl)-5-(2H-tetrazol-5-yl)-1,3-dihydropyridin-6-one

2-methyl-2,4-bis(4-methylphenyl)-5-(2H-tetrazol-5-yl)-1,3-dihydropyridin-6-one (PubChem CID 122362681) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-methyl-2,4-bis(4-methylphenyl)-5-(2H-tetrazol-5-yl)-1,3-dihydropyridin-6-one.

Molecular Properties

Compound Name2-methyl-2,4-bis(4-methylphenyl)-5-(2H-tetrazol-5-yl)-1,3-dihydropyridin-6-one
PubChem CID122362681
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name2-methyl-2,4-bis(4-methylphenyl)-5-(2H-tetrazol-5-yl)-1,3-dihydropyridin-6-one
SMILESCc1ccc(C2=C(c3nn[nH]n3)C(=O)NC(C)(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C21H21N5O/c1-13-4-8-15(9-5-13)17-12-21(3,16-10-6-14(2)7-11-16)22-20(27)18(17)19-23-25-26-24-19/h4-11H,12H2,1-3H3,(H,22,27)(H,23,24,25,26)
InChIKeyDIJUYHBIXUHDIO-UHFFFAOYSA-N
XLogP3.16
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,4-bis(4-methylphenyl)-5-(2H-tetrazol-5-yl)-1,3-dihydropyridin-6-one?
The IUPAC name of 2-methyl-2,4-bis(4-methylphenyl)-5-(2H-tetrazol-5-yl)-1,3-dihydropyridin-6-one (CID 122362681) is 2-methyl-2,4-bis(4-methylphenyl)-5-(2H-tetrazol-5-yl)-1,3-dihydropyridin-6-one.
What is the SMILES notation for 2-methyl-2,4-bis(4-methylphenyl)-5-(2H-tetrazol-5-yl)-1,3-dihydropyridin-6-one?
The canonical SMILES for 2-methyl-2,4-bis(4-methylphenyl)-5-(2H-tetrazol-5-yl)-1,3-dihydropyridin-6-one is Cc1ccc(C2=C(c3nn[nH]n3)C(=O)NC(C)(c3ccc(C)cc3)C2)cc1.
What is the InChIKey of 2-methyl-2,4-bis(4-methylphenyl)-5-(2H-tetrazol-5-yl)-1,3-dihydropyridin-6-one?
The InChIKey is DIJUYHBIXUHDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-13-4-8-15(9-5-13)17-12-21(3,16-10-6-14(2)7-11-16)22-20(27)18(17)19-23-25-26-24-19/h4-11H,12H2,1-3H3,(H,22,27)(H,23,24,25,26).
What are the key properties of 2-methyl-2,4-bis(4-methylphenyl)-5-(2H-tetrazol-5-yl)-1,3-dihydropyridin-6-one?
2-methyl-2,4-bis(4-methylphenyl)-5-(2H-tetrazol-5-yl)-1,3-dihydropyridin-6-one has a molecular weight of 359.43 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,4-bis(4-methylphenyl)-5-(2H-tetrazol-5-yl)-1,3-dihydropyridin-6-one is sourced from PubChem (CID 122362681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).