6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)-8-prop-2-enylpyrido[2,3-d]pyrimidin-7-one

C18H19N5O2 — CID 59258850

IUPAC6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)-8-prop-2-enylpyrido[2,3-d]pyrimidin-7-one
SMILESC=CCn1c(=O)c(-c2ccc(OC)nc2)cc2c(C)nc(NC)nc21
InChIInChI=1S/C18H19N5O2/c1-5-8-23-16-13(11(2)21-18(19-3)22-16)9-14(17(23)24)12-6-7-15(25-4)20-10-12/h5-7,9-10H,1,8H2,2-4H3,(H,19,21,22)
InChIKeyNQCOXRGXUZZWFA-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.40
Rot. Bonds5

About 6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)-8-prop-2-enylpyrido[2,3-d]pyrimidin-7-one

6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)-8-prop-2-enylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 59258850) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)-8-prop-2-enylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)-8-prop-2-enylpyrido[2,3-d]pyrimidin-7-one
PubChem CID59258850
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)-8-prop-2-enylpyrido[2,3-d]pyrimidin-7-one
SMILESC=CCn1c(=O)c(-c2ccc(OC)nc2)cc2c(C)nc(NC)nc21
InChIInChI=1S/C18H19N5O2/c1-5-8-23-16-13(11(2)21-18(19-3)22-16)9-14(17(23)24)12-6-7-15(25-4)20-10-12/h5-7,9-10H,1,8H2,2-4H3,(H,19,21,22)
InChIKeyNQCOXRGXUZZWFA-UHFFFAOYSA-N
XLogP2.40
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)-8-prop-2-enylpyrido[2,3-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)-8-prop-2-enylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)-8-prop-2-enylpyrido[2,3-d]pyrimidin-7-one (CID 59258850) is 6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)-8-prop-2-enylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)-8-prop-2-enylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)-8-prop-2-enylpyrido[2,3-d]pyrimidin-7-one is C=CCn1c(=O)c(-c2ccc(OC)nc2)cc2c(C)nc(NC)nc21.
What is the InChIKey of 6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)-8-prop-2-enylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NQCOXRGXUZZWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-5-8-23-16-13(11(2)21-18(19-3)22-16)9-14(17(23)24)12-6-7-15(25-4)20-10-12/h5-7,9-10H,1,8H2,2-4H3,(H,19,21,22).
What are the key properties of 6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)-8-prop-2-enylpyrido[2,3-d]pyrimidin-7-one?
6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)-8-prop-2-enylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 337.38 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)-8-prop-2-enylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59258850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).