7-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C19H24N4O3 — CID 124962993

IUPAC7-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2ccc([C@@H]3CCN(C(=O)C4CCCC4)C3)nc2n(C)c1=O
InChIInChI=1S/C19H24N4O3/c1-21-16-14(18(25)22(2)19(21)26)7-8-15(20-16)13-9-10-23(11-13)17(24)12-5-3-4-6-12/h7-8,12-13H,3-6,9-11H2,1-2H3/t13-/m1/s1
InChIKeyHMYXWONGDMIFCJ-CYBMUJFWSA-N
MW356.43 g/mol
LogP1.14
Rot. Bonds2

About 7-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

7-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 124962993) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 7-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID124962993
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name7-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2ccc([C@@H]3CCN(C(=O)C4CCCC4)C3)nc2n(C)c1=O
InChIInChI=1S/C19H24N4O3/c1-21-16-14(18(25)22(2)19(21)26)7-8-15(20-16)13-9-10-23(11-13)17(24)12-5-3-4-6-12/h7-8,12-13H,3-6,9-11H2,1-2H3/t13-/m1/s1
InChIKeyHMYXWONGDMIFCJ-CYBMUJFWSA-N
XLogP1.14
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-(pyridine-4-carbonyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 127252071
7-[(3S)-1-benzoylpyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 124978988
7-[(2S)-1-(cyclopentanecarbonyl)piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 95834540
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-[(3S)-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 125008178
7-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 110264732
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-pyrrolidin-1-ylsulfonylpiperidin-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 110264791

Frequently Asked Questions

What is the IUPAC name of 7-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 124962993) is 7-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2ccc([C@@H]3CCN(C(=O)C4CCCC4)C3)nc2n(C)c1=O.
What is the InChIKey of 7-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is HMYXWONGDMIFCJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-21-16-14(18(25)22(2)19(21)26)7-8-15(20-16)13-9-10-23(11-13)17(24)12-5-3-4-6-12/h7-8,12-13H,3-6,9-11H2,1-2H3/t13-/m1/s1.
What are the key properties of 7-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
7-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 356.43 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 124962993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).