1,3-dimethyl-7-[(2R)-2-[(1R)-2-oxocyclopentyl]pyrrolidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione

C19H22N4O4 — CID 97251428

IUPAC1,3-dimethyl-7-[(2R)-2-[(1R)-2-oxocyclopentyl]pyrrolidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2ccc(C(=O)N3CCC[C@@H]3[C@H]3CCCC3=O)nc2n(C)c1=O
InChIInChI=1S/C19H22N4O4/c1-21-16-12(17(25)22(2)19(21)27)8-9-13(20-16)18(26)23-10-4-6-14(23)11-5-3-7-15(11)24/h8-9,11,14H,3-7,10H2,1-2H3/t11-,14-/m1/s1
InChIKeyPFWWQRDBACYBRT-BXUZGUMPSA-N
MW370.41 g/mol
LogP0.61
Rot. Bonds2

About 1,3-dimethyl-7-[(2R)-2-[(1R)-2-oxocyclopentyl]pyrrolidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione

1,3-dimethyl-7-[(2R)-2-[(1R)-2-oxocyclopentyl]pyrrolidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 97251428) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1,3-dimethyl-7-[(2R)-2-[(1R)-2-oxocyclopentyl]pyrrolidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-7-[(2R)-2-[(1R)-2-oxocyclopentyl]pyrrolidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID97251428
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name1,3-dimethyl-7-[(2R)-2-[(1R)-2-oxocyclopentyl]pyrrolidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2ccc(C(=O)N3CCC[C@@H]3[C@H]3CCCC3=O)nc2n(C)c1=O
InChIInChI=1S/C19H22N4O4/c1-21-16-12(17(25)22(2)19(21)27)8-9-13(20-16)18(26)23-10-4-6-14(23)11-5-3-7-15(11)24/h8-9,11,14H,3-7,10H2,1-2H3/t11-,14-/m1/s1
InChIKeyPFWWQRDBACYBRT-BXUZGUMPSA-N
XLogP0.61
TPSA94.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1,3-dimethyl-7-[(2R)-2-[(1R)-2-oxocyclopentyl]pyrrolidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

7-[(2S)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 39680391
1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122113269
7-[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 55582095
7-[(3S)-3-ethylpiperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 38902551
1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55670259
2-[1-(5-bromopyridine-2-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79547562
7-[3-(1-aminoethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 119595635
2-[1-(3-hydroxypyridine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 81445915
2-[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79538753
N,N-dimethyl-2-(2-oxocyclopentyl)pyrrolidine-1-carboxamide
CID 79544614
2-[1-(3-hydroxy-2-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 82809405
1,3-dimethyl-7-[3-(phenoxymethyl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 86971359

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-[(2R)-2-[(1R)-2-oxocyclopentyl]pyrrolidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-7-[(2R)-2-[(1R)-2-oxocyclopentyl]pyrrolidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 97251428) is 1,3-dimethyl-7-[(2R)-2-[(1R)-2-oxocyclopentyl]pyrrolidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-7-[(2R)-2-[(1R)-2-oxocyclopentyl]pyrrolidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-7-[(2R)-2-[(1R)-2-oxocyclopentyl]pyrrolidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2ccc(C(=O)N3CCC[C@@H]3[C@H]3CCCC3=O)nc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-7-[(2R)-2-[(1R)-2-oxocyclopentyl]pyrrolidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is PFWWQRDBACYBRT-BXUZGUMPSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-21-16-12(17(25)22(2)19(21)27)8-9-13(20-16)18(26)23-10-4-6-14(23)11-5-3-7-15(11)24/h8-9,11,14H,3-7,10H2,1-2H3/t11-,14-/m1/s1.
What are the key properties of 1,3-dimethyl-7-[(2R)-2-[(1R)-2-oxocyclopentyl]pyrrolidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione?
1,3-dimethyl-7-[(2R)-2-[(1R)-2-oxocyclopentyl]pyrrolidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 370.41 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-[(2R)-2-[(1R)-2-oxocyclopentyl]pyrrolidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 97251428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).