4-[2-(2-methylbutan-2-yl)pyrido[2,3-d]pyrimidin-4-yl]benzonitrile

C19H18N4 — CID 130266481

IUPAC4-[2-(2-methylbutan-2-yl)pyrido[2,3-d]pyrimidin-4-yl]benzonitrile
SMILESCCC(C)(C)c1nc(-c2ccc(C#N)cc2)c2cccnc2n1
InChIInChI=1S/C19H18N4/c1-4-19(2,3)18-22-16(14-9-7-13(12-20)8-10-14)15-6-5-11-21-17(15)23-18/h5-11H,4H2,1-3H3
InChIKeyUYBCWMOGDBWNML-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.25
Rot. Bonds3

About 4-[2-(2-methylbutan-2-yl)pyrido[2,3-d]pyrimidin-4-yl]benzonitrile

4-[2-(2-methylbutan-2-yl)pyrido[2,3-d]pyrimidin-4-yl]benzonitrile (PubChem CID 130266481) has the molecular formula C19H18N4 and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-[2-(2-methylbutan-2-yl)pyrido[2,3-d]pyrimidin-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-(2-methylbutan-2-yl)pyrido[2,3-d]pyrimidin-4-yl]benzonitrile
PubChem CID130266481
Molecular FormulaC19H18N4
Molecular Weight302.38 g/mol
Exact Mass302.15
IUPAC Name4-[2-(2-methylbutan-2-yl)pyrido[2,3-d]pyrimidin-4-yl]benzonitrile
SMILESCCC(C)(C)c1nc(-c2ccc(C#N)cc2)c2cccnc2n1
InChIInChI=1S/C19H18N4/c1-4-19(2,3)18-22-16(14-9-7-13(12-20)8-10-14)15-6-5-11-21-17(15)23-18/h5-11H,4H2,1-3H3
InChIKeyUYBCWMOGDBWNML-UHFFFAOYSA-N
XLogP4.25
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylbutan-2-yl)pyrido[2,3-d]pyrimidin-4-yl]benzonitrile?
The IUPAC name of 4-[2-(2-methylbutan-2-yl)pyrido[2,3-d]pyrimidin-4-yl]benzonitrile (CID 130266481) is 4-[2-(2-methylbutan-2-yl)pyrido[2,3-d]pyrimidin-4-yl]benzonitrile.
What is the SMILES notation for 4-[2-(2-methylbutan-2-yl)pyrido[2,3-d]pyrimidin-4-yl]benzonitrile?
The canonical SMILES for 4-[2-(2-methylbutan-2-yl)pyrido[2,3-d]pyrimidin-4-yl]benzonitrile is CCC(C)(C)c1nc(-c2ccc(C#N)cc2)c2cccnc2n1.
What is the InChIKey of 4-[2-(2-methylbutan-2-yl)pyrido[2,3-d]pyrimidin-4-yl]benzonitrile?
The InChIKey is UYBCWMOGDBWNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4/c1-4-19(2,3)18-22-16(14-9-7-13(12-20)8-10-14)15-6-5-11-21-17(15)23-18/h5-11H,4H2,1-3H3.
What are the key properties of 4-[2-(2-methylbutan-2-yl)pyrido[2,3-d]pyrimidin-4-yl]benzonitrile?
4-[2-(2-methylbutan-2-yl)pyrido[2,3-d]pyrimidin-4-yl]benzonitrile has a molecular weight of 302.38 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylbutan-2-yl)pyrido[2,3-d]pyrimidin-4-yl]benzonitrile is sourced from PubChem (CID 130266481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).