1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid

C15H16N4O5 — CID 119355794

IUPAC1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCn1c(=O)c2cc(C(=O)N3CCCC3C(=O)O)cnc2n(C)c1=O
InChIInChI=1S/C15H16N4O5/c1-17-11-9(13(21)18(2)15(17)24)6-8(7-16-11)12(20)19-5-3-4-10(19)14(22)23/h6-7,10H,3-5H2,1-2H3,(H,22,23)
InChIKeyKIGVIINIPIWRKF-UHFFFAOYSA-N
MW332.32 g/mol
LogP-0.68
Rot. Bonds2

About 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid

1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 119355794) has the molecular formula C15H16N4O5 and a molecular weight of 332.32 g/mol. Its IUPAC name is 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID119355794
Molecular FormulaC15H16N4O5
Molecular Weight332.32 g/mol
Exact Mass332.11
IUPAC Name1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCn1c(=O)c2cc(C(=O)N3CCCC3C(=O)O)cnc2n(C)c1=O
InChIInChI=1S/C15H16N4O5/c1-17-11-9(13(21)18(2)15(17)24)6-8(7-16-11)12(20)19-5-3-4-10(19)14(22)23/h6-7,10H,3-5H2,1-2H3,(H,22,23)
InChIKeyKIGVIINIPIWRKF-UHFFFAOYSA-N
XLogP-0.68
TPSA114.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

(2S)-1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 61137578
1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide
CID 36525528
6-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 42941421
(2S)-1-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365779
(2S)-1-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 99701713
6-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
CID 119644795
1-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 126769097
N-[2-(cycloheptylamino)ethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride
CID 119619498
1,3-dimethyl-2,4-dioxo-N-propan-2-ylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46517834
N,1,3-trimethyl-N-(2-methylcyclohexyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 51077156
(2S)-1-(6-carbamoylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 125147875
N-(1-amino-2-cyclopropylpropan-2-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 119572796

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid (CID 119355794) is 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid is Cn1c(=O)c2cc(C(=O)N3CCCC3C(=O)O)cnc2n(C)c1=O.
What is the InChIKey of 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is KIGVIINIPIWRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O5/c1-17-11-9(13(21)18(2)15(17)24)6-8(7-16-11)12(20)19-5-3-4-10(19)14(22)23/h6-7,10H,3-5H2,1-2H3,(H,22,23).
What are the key properties of 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid?
1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 332.32 g/mol, XLogP of -0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119355794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).