2-[2-(3-fluorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one

C16H14FN3O2 — CID 135899198

IUPAC2-[2-(3-fluorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(COCCc2cccc(F)c2)nc2ncccc12
InChIInChI=1S/C16H14FN3O2/c17-12-4-1-3-11(9-12)6-8-22-10-14-19-15-13(16(21)20-14)5-2-7-18-15/h1-5,7,9H,6,8,10H2,(H,18,19,20,21)
InChIKeyQRTAIKYNFAOBDF-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.22
Rot. Bonds5

About 2-[2-(3-fluorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one

2-[2-(3-fluorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135899198) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135899198
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name2-[2-(3-fluorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(COCCc2cccc(F)c2)nc2ncccc12
InChIInChI=1S/C16H14FN3O2/c17-12-4-1-3-11(9-12)6-8-22-10-14-19-15-13(16(21)20-14)5-2-7-18-15/h1-5,7,9H,6,8,10H2,(H,18,19,20,21)
InChIKeyQRTAIKYNFAOBDF-UHFFFAOYSA-N
XLogP2.22
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Pyridinecarboxamide, 2-(4-morpholinyl)-N-phenyl-
CID 714698
Nevirapin 2,4-Disubstituted deriv. 12b
CID 464563
2-(cinnamyloxy)pyrido[2,3-d]pyrimidin-4(3H)-one
CID 136127015
6-(Benzylamino)pyridine-3-carboxamide
CID 3031427
2-(4-phenylbutyl)pyrido[2,3-d]pyrimidin-4(3H)-one
CID 135899247
6-(3-fluoroanilino)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 44570574
2-(2-o-Tolyl-ethoxymethyl)-3h-pyrido[2,3-d]pyrimidin-4-one
CID 135899153
2-((2-chlorophenethyloxy)methyl)pyrido[2,3-d]pyrimidin-4(3H)-one
CID 135899154
2-((3-chlorophenethyloxy)methyl)pyrido[2,3-d]pyrimidin-4(3H)-one
CID 135899178
N-((3,4-dihydro-4-oxopyrido[2,3-d]pyrimidin-2-yl)methyl)-3-phenylpropanamide
CID 135899280
2-(4-phenylbutoxy)pyrido[2,3-d]pyrimidin-4(3H)-one
CID 135899300
2-Phenethyloxymethyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135899321

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[2-(3-fluorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135899198) is 2-[2-(3-fluorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[2-(3-fluorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[2-(3-fluorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one is O=c1[nH]c(COCCc2cccc(F)c2)nc2ncccc12.
What is the InChIKey of 2-[2-(3-fluorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is QRTAIKYNFAOBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c17-12-4-1-3-11(9-12)6-8-22-10-14-19-15-13(16(21)20-14)5-2-7-18-15/h1-5,7,9H,6,8,10H2,(H,18,19,20,21).
What are the key properties of 2-[2-(3-fluorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one?
2-[2-(3-fluorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 299.31 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135899198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).