2-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile

C15H15N5O — CID 175648463

IUPAC2-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile
SMILESCc1nc2c(c(=O)n1C)CN(c1ncccc1C#N)CC2
InChIInChI=1S/C15H15N5O/c1-10-18-13-5-7-20(9-12(13)15(21)19(10)2)14-11(8-16)4-3-6-17-14/h3-4,6H,5,7,9H2,1-2H3
InChIKeyDHCDNVYPMZYQHV-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.92
Rot. Bonds1

About 2-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile

2-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile (PubChem CID 175648463) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile
PubChem CID175648463
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name2-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile
SMILESCc1nc2c(c(=O)n1C)CN(c1ncccc1C#N)CC2
InChIInChI=1S/C15H15N5O/c1-10-18-13-5-7-20(9-12(13)15(21)19(10)2)14-11(8-16)4-3-6-17-14/h3-4,6H,5,7,9H2,1-2H3
InChIKeyDHCDNVYPMZYQHV-UHFFFAOYSA-N
XLogP0.92
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile (CID 175648463) is 2-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile is Cc1nc2c(c(=O)n1C)CN(c1ncccc1C#N)CC2.
What is the InChIKey of 2-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile?
The InChIKey is DHCDNVYPMZYQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-10-18-13-5-7-20(9-12(13)15(21)19(10)2)14-11(8-16)4-3-6-17-14/h3-4,6H,5,7,9H2,1-2H3.
What are the key properties of 2-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile?
2-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile has a molecular weight of 281.32 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 175648463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).