8-benzyl-2-[1-[2-(diethylamino)acetyl]pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C25H33N5O2 — CID 127249359

IUPAC8-benzyl-2-[1-[2-(diethylamino)acetyl]pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCCN(CC)CC(=O)N1CCC(c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)C1
InChIInChI=1S/C25H33N5O2/c1-4-28(5-2)17-23(32)29-14-13-20(16-29)24-26-18(3)21-11-12-22(31)30(25(21)27-24)15-19-9-7-6-8-10-19/h6-10,20H,4-5,11-17H2,1-3H3
InChIKeyUUQMDHRGVMLHJT-UHFFFAOYSA-N
MW435.57 g/mol
LogP2.92
Rot. Bonds7

About 8-benzyl-2-[1-[2-(diethylamino)acetyl]pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

8-benzyl-2-[1-[2-(diethylamino)acetyl]pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 127249359) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 8-benzyl-2-[1-[2-(diethylamino)acetyl]pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-benzyl-2-[1-[2-(diethylamino)acetyl]pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID127249359
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name8-benzyl-2-[1-[2-(diethylamino)acetyl]pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCCN(CC)CC(=O)N1CCC(c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)C1
InChIInChI=1S/C25H33N5O2/c1-4-28(5-2)17-23(32)29-14-13-20(16-29)24-26-18(3)21-11-12-22(31)30(25(21)27-24)15-19-9-7-6-8-10-19/h6-10,20H,4-5,11-17H2,1-3H3
InChIKeyUUQMDHRGVMLHJT-UHFFFAOYSA-N
XLogP2.92
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-benzyl-4-methyl-2-[1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127249324
8-benzyl-2-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127249295
2-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124982743
8-[(4-fluorophenyl)methyl]-4-methyl-2-[(3R)-1-propanoylpiperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629275
8-[(4-methoxyphenyl)methyl]-4-methyl-2-[(3R)-1-propanoylpiperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 95831252
N-[2-[(3S)-3-(7-benzyl-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 125015105
7-benzyl-4-methyl-2-[(3R)-1-(2-propan-2-yloxyacetyl)pyrrolidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 124952748
8-benzyl-4-methyl-2-[(3R)-1-(thiadiazole-4-carbonyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630270
2-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124949455
8-benzyl-4-methyl-2-[(2R)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629769
8-[(3-fluorophenyl)methyl]-4-methyl-2-[(3R)-1-(2-propan-2-yloxyacetyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 125008528
8-benzyl-4-methyl-2-[(2R)-1-(2-phenylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92618762

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-2-[1-[2-(diethylamino)acetyl]pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-benzyl-2-[1-[2-(diethylamino)acetyl]pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 127249359) is 8-benzyl-2-[1-[2-(diethylamino)acetyl]pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-benzyl-2-[1-[2-(diethylamino)acetyl]pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-benzyl-2-[1-[2-(diethylamino)acetyl]pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is CCN(CC)CC(=O)N1CCC(c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)C1.
What is the InChIKey of 8-benzyl-2-[1-[2-(diethylamino)acetyl]pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is UUQMDHRGVMLHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-4-28(5-2)17-23(32)29-14-13-20(16-29)24-26-18(3)21-11-12-22(31)30(25(21)27-24)15-19-9-7-6-8-10-19/h6-10,20H,4-5,11-17H2,1-3H3.
What are the key properties of 8-benzyl-2-[1-[2-(diethylamino)acetyl]pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
8-benzyl-2-[1-[2-(diethylamino)acetyl]pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 435.57 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-2-[1-[2-(diethylamino)acetyl]pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 127249359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).