2-amino-4-(4-methylphenyl)-1-(4-methyl-2-pyridinyl)-6-oxopyridine-3,5-dicarbonitrile

C20H15N5O — CID 155810322

IUPAC2-amino-4-(4-methylphenyl)-1-(4-methyl-2-pyridinyl)-6-oxopyridine-3,5-dicarbonitrile
SMILESCc1ccc(-c2c(C#N)c(N)n(-c3cc(C)ccn3)c(=O)c2C#N)cc1
InChIInChI=1S/C20H15N5O/c1-12-3-5-14(6-4-12)18-15(10-21)19(23)25(20(26)16(18)11-22)17-9-13(2)7-8-24-17/h3-9H,23H2,1-2H3
InChIKeyZXDRNCGNLWKYIY-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.84
Rot. Bonds2

About 2-amino-4-(4-methylphenyl)-1-(4-methyl-2-pyridinyl)-6-oxopyridine-3,5-dicarbonitrile

2-amino-4-(4-methylphenyl)-1-(4-methyl-2-pyridinyl)-6-oxopyridine-3,5-dicarbonitrile (PubChem CID 155810322) has the molecular formula C20H15N5O and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-amino-4-(4-methylphenyl)-1-(4-methyl-2-pyridinyl)-6-oxopyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-methylphenyl)-1-(4-methyl-2-pyridinyl)-6-oxopyridine-3,5-dicarbonitrile
PubChem CID155810322
Molecular FormulaC20H15N5O
Molecular Weight341.37 g/mol
Exact Mass341.13
IUPAC Name2-amino-4-(4-methylphenyl)-1-(4-methyl-2-pyridinyl)-6-oxopyridine-3,5-dicarbonitrile
SMILESCc1ccc(-c2c(C#N)c(N)n(-c3cc(C)ccn3)c(=O)c2C#N)cc1
InChIInChI=1S/C20H15N5O/c1-12-3-5-14(6-4-12)18-15(10-21)19(23)25(20(26)16(18)11-22)17-9-13(2)7-8-24-17/h3-9H,23H2,1-2H3
InChIKeyZXDRNCGNLWKYIY-UHFFFAOYSA-N
XLogP2.84
TPSA108.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methylphenyl)-1-(4-methyl-2-pyridinyl)-6-oxopyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(4-methylphenyl)-1-(4-methyl-2-pyridinyl)-6-oxopyridine-3,5-dicarbonitrile (CID 155810322) is 2-amino-4-(4-methylphenyl)-1-(4-methyl-2-pyridinyl)-6-oxopyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(4-methylphenyl)-1-(4-methyl-2-pyridinyl)-6-oxopyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(4-methylphenyl)-1-(4-methyl-2-pyridinyl)-6-oxopyridine-3,5-dicarbonitrile is Cc1ccc(-c2c(C#N)c(N)n(-c3cc(C)ccn3)c(=O)c2C#N)cc1.
What is the InChIKey of 2-amino-4-(4-methylphenyl)-1-(4-methyl-2-pyridinyl)-6-oxopyridine-3,5-dicarbonitrile?
The InChIKey is ZXDRNCGNLWKYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O/c1-12-3-5-14(6-4-12)18-15(10-21)19(23)25(20(26)16(18)11-22)17-9-13(2)7-8-24-17/h3-9H,23H2,1-2H3.
What are the key properties of 2-amino-4-(4-methylphenyl)-1-(4-methyl-2-pyridinyl)-6-oxopyridine-3,5-dicarbonitrile?
2-amino-4-(4-methylphenyl)-1-(4-methyl-2-pyridinyl)-6-oxopyridine-3,5-dicarbonitrile has a molecular weight of 341.37 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methylphenyl)-1-(4-methyl-2-pyridinyl)-6-oxopyridine-3,5-dicarbonitrile is sourced from PubChem (CID 155810322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).