3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxypyrido[1,2-a]pyrimidin-4-one

C15H14N2O2 — CID 137214884

IUPAC3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxypyrido[1,2-a]pyrimidin-4-one
SMILESC=C/C=C\C(=C/C)c1c(O)nc2ccccn2c1=O
InChIInChI=1S/C15H14N2O2/c1-3-5-8-11(4-2)13-14(18)16-12-9-6-7-10-17(12)15(13)19/h3-10,18H,1H2,2H3/b8-5-,11-4+
InChIKeyLRAVRIMYSCXMMH-CDXXIHCBSA-N
MW254.29 g/mol
LogP2.55
Rot. Bonds3

About 3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxypyrido[1,2-a]pyrimidin-4-one

3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 137214884) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxypyrido[1,2-a]pyrimidin-4-one
PubChem CID137214884
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxypyrido[1,2-a]pyrimidin-4-one
SMILESC=C/C=C\C(=C/C)c1c(O)nc2ccccn2c1=O
InChIInChI=1S/C15H14N2O2/c1-3-5-8-11(4-2)13-14(18)16-12-9-6-7-10-17(12)15(13)19/h3-10,18H,1H2,2H3/b8-5-,11-4+
InChIKeyLRAVRIMYSCXMMH-CDXXIHCBSA-N
XLogP2.55
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxypyrido[1,2-a]pyrimidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-ethoxyphenyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 137279230
N-(2-chlorophenyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 137278968
2-hydroxy-4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681057
2-hydroxy-3-(3-methylbutyl)pyrido[1,2-a]pyrimidin-4-one
CID 135870029
N-(2-hydroxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 137316980
2-hydroxy-N-[(2-methoxyphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681072
5-[(2-hydroxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 137224601
2-hydroxy-4-oxo-N-[(1R,5R)-3,3,5-trimethylcyclohexyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 136696100
2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]imidazo[1,2-a]pyridin-3-amine
CID 145073918
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458493
3-(2-chloro-6-fluorophenyl)-2-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 171976185
2-hydroxy-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681058

Frequently Asked Questions

What is the IUPAC name of 3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxypyrido[1,2-a]pyrimidin-4-one (CID 137214884) is 3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxypyrido[1,2-a]pyrimidin-4-one is C=C/C=C\C(=C/C)c1c(O)nc2ccccn2c1=O.
What is the InChIKey of 3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LRAVRIMYSCXMMH-CDXXIHCBSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-3-5-8-11(4-2)13-14(18)16-12-9-6-7-10-17(12)15(13)19/h3-10,18H,1H2,2H3/b8-5-,11-4+.
What are the key properties of 3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxypyrido[1,2-a]pyrimidin-4-one?
3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 254.29 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 137214884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).