4-methyl-8-(2-phenylethyl)-2-[(2R)-1-propanoylpiperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C24H30N4O2 — CID 92629786

IUPAC4-methyl-8-(2-phenylethyl)-2-[(2R)-1-propanoylpiperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCCC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2
InChIInChI=1S/C24H30N4O2/c1-3-21(29)27-15-8-7-11-20(27)23-25-17(2)19-12-13-22(30)28(24(19)26-23)16-14-18-9-5-4-6-10-18/h4-6,9-10,20H,3,7-8,11-16H2,1-2H3/t20-/m1/s1
InChIKeyHUELPUMECWSVMQ-HXUWFJFHSA-N
MW406.53 g/mol
LogP3.77
Rot. Bonds5

About 4-methyl-8-(2-phenylethyl)-2-[(2R)-1-propanoylpiperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

4-methyl-8-(2-phenylethyl)-2-[(2R)-1-propanoylpiperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 92629786) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 4-methyl-8-(2-phenylethyl)-2-[(2R)-1-propanoylpiperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-methyl-8-(2-phenylethyl)-2-[(2R)-1-propanoylpiperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID92629786
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name4-methyl-8-(2-phenylethyl)-2-[(2R)-1-propanoylpiperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCCC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2
InChIInChI=1S/C24H30N4O2/c1-3-21(29)27-15-8-7-11-20(27)23-25-17(2)19-12-13-22(30)28(24(19)26-23)16-14-18-9-5-4-6-10-18/h4-6,9-10,20H,3,7-8,11-16H2,1-2H3/t20-/m1/s1
InChIKeyHUELPUMECWSVMQ-HXUWFJFHSA-N
XLogP3.77
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-7-(2-phenylethyl)-2-[(2R)-1-propanoylpiperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 95831954
N-[2-[(2R)-2-[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 92630420
4-methyl-2-[(2S)-1-(3-methylbutanoyl)pyrrolidin-2-yl]-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630357
2-[(2S)-1-cyclohexylpiperidin-2-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630896
2-[(2R)-1-cyclohexylpiperidin-2-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630897
8-benzyl-2-[1-(cyclohexanecarbonyl)piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110268510
2-[(2R)-1-[2-(diethylamino)acetyl]piperidin-2-yl]-4-methyl-7-(2-phenylethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 92629427
4-methyl-2-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630368
N,N-diethyl-2-[(2S)-2-[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide
CID 92630575
8-benzyl-4-methyl-2-[(2R)-1-(2-phenylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92618762
8-benzyl-2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260819
4-methyl-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260833

Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-(2-phenylethyl)-2-[(2R)-1-propanoylpiperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-methyl-8-(2-phenylethyl)-2-[(2R)-1-propanoylpiperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 92629786) is 4-methyl-8-(2-phenylethyl)-2-[(2R)-1-propanoylpiperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-methyl-8-(2-phenylethyl)-2-[(2R)-1-propanoylpiperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-methyl-8-(2-phenylethyl)-2-[(2R)-1-propanoylpiperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is CCC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2.
What is the InChIKey of 4-methyl-8-(2-phenylethyl)-2-[(2R)-1-propanoylpiperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HUELPUMECWSVMQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-3-21(29)27-15-8-7-11-20(27)23-25-17(2)19-12-13-22(30)28(24(19)26-23)16-14-18-9-5-4-6-10-18/h4-6,9-10,20H,3,7-8,11-16H2,1-2H3/t20-/m1/s1.
What are the key properties of 4-methyl-8-(2-phenylethyl)-2-[(2R)-1-propanoylpiperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
4-methyl-8-(2-phenylethyl)-2-[(2R)-1-propanoylpiperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 406.53 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-(2-phenylethyl)-2-[(2R)-1-propanoylpiperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 92629786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).