3-[[1-(3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one

C25H26N4O3 — CID 126942963

IUPAC3-[[1-(3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
SMILESO=C(C1CCc2ccccc2O1)N1CCC(Cn2cnc(-c3cccnc3)cc2=O)CC1
InChIInChI=1S/C25H26N4O3/c30-24-14-21(20-5-3-11-26-15-20)27-17-29(24)16-18-9-12-28(13-10-18)25(31)23-8-7-19-4-1-2-6-22(19)32-23/h1-6,11,14-15,17-18,23H,7-10,12-13,16H2
InChIKeyYWQBQTQCUANXQI-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.94
Rot. Bonds4

About 3-[[1-(3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one

3-[[1-(3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one (PubChem CID 126942963) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 3-[[1-(3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
PubChem CID126942963
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name3-[[1-(3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
SMILESO=C(C1CCc2ccccc2O1)N1CCC(Cn2cnc(-c3cccnc3)cc2=O)CC1
InChIInChI=1S/C25H26N4O3/c30-24-14-21(20-5-3-11-26-15-20)27-17-29(24)16-18-9-12-28(13-10-18)25(31)23-8-7-19-4-1-2-6-22(19)32-23/h1-6,11,14-15,17-18,23H,7-10,12-13,16H2
InChIKeyYWQBQTQCUANXQI-UHFFFAOYSA-N
XLogP2.94
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[1-(3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one with MolForge

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Related Compounds

3-[[1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126942971
3-[[1-(cyclopent-3-ene-1-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126942974
6-pyridin-3-yl-3-[[1-(quinoxaline-2-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942922
3-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126943238
3-[[1-(indolizine-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126942955
6-pyridin-3-yl-3-[[1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942967
3-[[1-(azepan-1-ylsulfonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126943090
3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126942957
6-pyridin-3-yl-3-[[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126943101
3-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126943270
3-[[1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126941992
3-[[1-[(6-hydroxy-1,4-dioxepan-6-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126943304

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one?
The IUPAC name of 3-[[1-(3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one (CID 126942963) is 3-[[1-(3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one.
What is the SMILES notation for 3-[[1-(3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one?
The canonical SMILES for 3-[[1-(3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one is O=C(C1CCc2ccccc2O1)N1CCC(Cn2cnc(-c3cccnc3)cc2=O)CC1.
What is the InChIKey of 3-[[1-(3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one?
The InChIKey is YWQBQTQCUANXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c30-24-14-21(20-5-3-11-26-15-20)27-17-29(24)16-18-9-12-28(13-10-18)25(31)23-8-7-19-4-1-2-6-22(19)32-23/h1-6,11,14-15,17-18,23H,7-10,12-13,16H2.
What are the key properties of 3-[[1-(3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one?
3-[[1-(3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one has a molecular weight of 430.51 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one is sourced from PubChem (CID 126942963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).