1-[(4-fluorophenyl)methyl]-2-(prop-2-enylamino)pyrido[2,3-d]pyrimidin-4-one

C17H15FN4O — CID 13425128

IUPAC1-[(4-fluorophenyl)methyl]-2-(prop-2-enylamino)pyrido[2,3-d]pyrimidin-4-one
SMILESC=CCNc1nc(=O)c2cccnc2n1Cc1ccc(F)cc1
InChIInChI=1S/C17H15FN4O/c1-2-9-20-17-21-16(23)14-4-3-10-19-15(14)22(17)11-12-5-7-13(18)8-6-12/h2-8,10H,1,9,11H2,(H,20,21,23)
InChIKeyJNDXVAWPXSHMNC-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.58
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-2-(prop-2-enylamino)pyrido[2,3-d]pyrimidin-4-one

1-[(4-fluorophenyl)methyl]-2-(prop-2-enylamino)pyrido[2,3-d]pyrimidin-4-one (PubChem CID 13425128) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-2-(prop-2-enylamino)pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-2-(prop-2-enylamino)pyrido[2,3-d]pyrimidin-4-one
PubChem CID13425128
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name1-[(4-fluorophenyl)methyl]-2-(prop-2-enylamino)pyrido[2,3-d]pyrimidin-4-one
SMILESC=CCNc1nc(=O)c2cccnc2n1Cc1ccc(F)cc1
InChIInChI=1S/C17H15FN4O/c1-2-9-20-17-21-16(23)14-4-3-10-19-15(14)22(17)11-12-5-7-13(18)8-6-12/h2-8,10H,1,9,11H2,(H,20,21,23)
InChIKeyJNDXVAWPXSHMNC-UHFFFAOYSA-N
XLogP2.58
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-2-(prop-2-enylamino)pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-2-(prop-2-enylamino)pyrido[2,3-d]pyrimidin-4-one (CID 13425128) is 1-[(4-fluorophenyl)methyl]-2-(prop-2-enylamino)pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-2-(prop-2-enylamino)pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-2-(prop-2-enylamino)pyrido[2,3-d]pyrimidin-4-one is C=CCNc1nc(=O)c2cccnc2n1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-2-(prop-2-enylamino)pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is JNDXVAWPXSHMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-2-9-20-17-21-16(23)14-4-3-10-19-15(14)22(17)11-12-5-7-13(18)8-6-12/h2-8,10H,1,9,11H2,(H,20,21,23).
What are the key properties of 1-[(4-fluorophenyl)methyl]-2-(prop-2-enylamino)pyrido[2,3-d]pyrimidin-4-one?
1-[(4-fluorophenyl)methyl]-2-(prop-2-enylamino)pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 310.33 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-2-(prop-2-enylamino)pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 13425128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).