7-[(3S)-1-benzoylpyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C20H20N4O3 — CID 124978988

IUPAC7-[(3S)-1-benzoylpyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2ccc([C@H]3CCN(C(=O)c4ccccc4)C3)nc2n(C)c1=O
InChIInChI=1S/C20H20N4O3/c1-22-17-15(19(26)23(2)20(22)27)8-9-16(21-17)14-10-11-24(12-14)18(25)13-6-4-3-5-7-13/h3-9,14H,10-12H2,1-2H3/t14-/m0/s1
InChIKeyLXVNGZHRYJMJRS-AWEZNQCLSA-N
MW364.41 g/mol
LogP1.26
Rot. Bonds2

About 7-[(3S)-1-benzoylpyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

7-[(3S)-1-benzoylpyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 124978988) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 7-[(3S)-1-benzoylpyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-[(3S)-1-benzoylpyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID124978988
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name7-[(3S)-1-benzoylpyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2ccc([C@H]3CCN(C(=O)c4ccccc4)C3)nc2n(C)c1=O
InChIInChI=1S/C20H20N4O3/c1-22-17-15(19(26)23(2)20(22)27)8-9-16(21-17)14-10-11-24(12-14)18(25)13-6-4-3-5-7-13/h3-9,14H,10-12H2,1-2H3/t14-/m0/s1
InChIKeyLXVNGZHRYJMJRS-AWEZNQCLSA-N
XLogP1.26
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-7-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 127252071
N-[4-[(3S)-3-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 124956301
N-[4-[(3R)-3-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 124956302
1,3-dimethyl-7-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 127252066
1,3-dimethyl-7-[1-(2-phenoxyacetyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 127251304
7-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 124962993
1-benzyl-3-methyl-7-[(3S)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 125002688
1,3-dimethyl-7-[(3R)-1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 124987444
1,3-dimethyl-7-[1-(2-phenylethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 110264730
7-[(3S)-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 125008178
1,3-dimethyl-7-[(2R)-4-(pyridine-3-carbonyl)morpholin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 125011324
7-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 110264732

Frequently Asked Questions

What is the IUPAC name of 7-[(3S)-1-benzoylpyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-[(3S)-1-benzoylpyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 124978988) is 7-[(3S)-1-benzoylpyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-[(3S)-1-benzoylpyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-[(3S)-1-benzoylpyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2ccc([C@H]3CCN(C(=O)c4ccccc4)C3)nc2n(C)c1=O.
What is the InChIKey of 7-[(3S)-1-benzoylpyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is LXVNGZHRYJMJRS-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-22-17-15(19(26)23(2)20(22)27)8-9-16(21-17)14-10-11-24(12-14)18(25)13-6-4-3-5-7-13/h3-9,14H,10-12H2,1-2H3/t14-/m0/s1.
What are the key properties of 7-[(3S)-1-benzoylpyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
7-[(3S)-1-benzoylpyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 364.41 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3S)-1-benzoylpyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 124978988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).