1,3-dimethyl-7-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione

C22H24N4O3 — CID 127252066

IUPAC1,3-dimethyl-7-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2ccc(C3CCN(C(=O)CCc4ccccc4)C3)nc2n(C)c1=O
InChIInChI=1S/C22H24N4O3/c1-24-20-17(21(28)25(2)22(24)29)9-10-18(23-20)16-12-13-26(14-16)19(27)11-8-15-6-4-3-5-7-15/h3-7,9-10,16H,8,11-14H2,1-2H3
InChIKeyXKSGOEYFVSGGCI-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.58
Rot. Bonds4

About 1,3-dimethyl-7-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione

1,3-dimethyl-7-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 127252066) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1,3-dimethyl-7-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-7-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID127252066
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name1,3-dimethyl-7-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2ccc(C3CCN(C(=O)CCc4ccccc4)C3)nc2n(C)c1=O
InChIInChI=1S/C22H24N4O3/c1-24-20-17(21(28)25(2)22(24)29)9-10-18(23-20)16-12-13-26(14-16)19(27)11-8-15-6-4-3-5-7-15/h3-7,9-10,16H,8,11-14H2,1-2H3
InChIKeyXKSGOEYFVSGGCI-UHFFFAOYSA-N
XLogP1.58
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,3-dimethyl-7-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(3S)-1-[3-(4-fluorophenyl)propanoyl]piperidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 92630847
1,3-dimethyl-7-[1-(2-phenoxyacetyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 127251304
7-[(3S)-1-benzoylpyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 124978988
1,3-dimethyl-7-[1-(2-phenylethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 110264730
1,3-dimethyl-7-[(3R)-1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 124987444
7-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 124962993
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-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 127252071
7-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 110264732
1-benzyl-3-methyl-7-[(3S)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 125002688
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

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-7-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 127252066) is 1,3-dimethyl-7-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-7-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-7-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2ccc(C3CCN(C(=O)CCc4ccccc4)C3)nc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-7-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is XKSGOEYFVSGGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-24-20-17(21(28)25(2)22(24)29)9-10-18(23-20)16-12-13-26(14-16)19(27)11-8-15-6-4-3-5-7-15/h3-7,9-10,16H,8,11-14H2,1-2H3.
What are the key properties of 1,3-dimethyl-7-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione?
1,3-dimethyl-7-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 392.46 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 127252066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).