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

C25H26N4O3 — CID 126942971

IUPAC3-[[1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
SMILESO=C(C1COc2ccccc2C1)N1CCC(Cn2cnc(-c3cccnc3)cc2=O)CC1
InChIInChI=1S/C25H26N4O3/c30-24-13-22(20-5-3-9-26-14-20)27-17-29(24)15-18-7-10-28(11-8-18)25(31)21-12-19-4-1-2-6-23(19)32-16-21/h1-6,9,13-14,17-18,21H,7-8,10-12,15-16H2
InChIKeyLNZDEXBPPVXMPB-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.80
Rot. Bonds4

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

3-[[1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one (PubChem CID 126942971) 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-3-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
PubChem CID126942971
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name3-[[1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
SMILESO=C(C1COc2ccccc2C1)N1CCC(Cn2cnc(-c3cccnc3)cc2=O)CC1
InChIInChI=1S/C25H26N4O3/c30-24-13-22(20-5-3-9-26-14-20)27-17-29(24)15-18-7-10-28(11-8-18)25(31)21-12-19-4-1-2-6-23(19)32-16-21/h1-6,9,13-14,17-18,21H,7-8,10-12,15-16H2
InChIKeyLNZDEXBPPVXMPB-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[1-(3,4-dihydro-2H-chromene-3-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-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126942963
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-(azepan-1-ylsulfonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126943090
3-[[1-(indolizine-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126942955
3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126942957
3,4-dihydro-2H-chromen-3-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70773170
[(3R)-3,4-dihydro-2H-chromen-3-yl]-(4-pyridin-3-ylpiperazin-1-yl)methanone
CID 97137307
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-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126943273
6-pyridin-3-yl-3-[[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126943101

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one?
The IUPAC name of 3-[[1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one (CID 126942971) is 3-[[1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one.
What is the SMILES notation for 3-[[1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one?
The canonical SMILES for 3-[[1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one is O=C(C1COc2ccccc2C1)N1CCC(Cn2cnc(-c3cccnc3)cc2=O)CC1.
What is the InChIKey of 3-[[1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one?
The InChIKey is LNZDEXBPPVXMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c30-24-13-22(20-5-3-9-26-14-20)27-17-29(24)15-18-7-10-28(11-8-18)25(31)21-12-19-4-1-2-6-23(19)32-16-21/h1-6,9,13-14,17-18,21H,7-8,10-12,15-16H2.
What are the key properties of 3-[[1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one?
3-[[1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one has a molecular weight of 430.51 g/mol, XLogP of 2.80, 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-3-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one is sourced from PubChem (CID 126942971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).