ethyl (3S)-1-(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate

C22H28N4O5 — CID 39297679

IUPACethyl (3S)-1-(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC[C@H](C(=O)OCC)C3)cc(C3CC3)nc21
InChIInChI=1S/C22H28N4O5/c1-3-9-26-18-17(19(27)24-22(26)30)15(11-16(23-18)13-7-8-13)20(28)25-10-5-6-14(12-25)21(29)31-4-2/h11,13-14H,3-10,12H2,1-2H3,(H,24,27,30)/t14-/m0/s1
InChIKeyBXNRWEDRXXMABQ-AWEZNQCLSA-N
MW428.49 g/mol
LogP1.79
Rot. Bonds6

About ethyl (3S)-1-(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate

ethyl (3S)-1-(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate (PubChem CID 39297679) has the molecular formula C22H28N4O5 and a molecular weight of 428.49 g/mol. Its IUPAC name is ethyl (3S)-1-(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate
PubChem CID39297679
Molecular FormulaC22H28N4O5
Molecular Weight428.49 g/mol
Exact Mass428.21
IUPAC Nameethyl (3S)-1-(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC[C@H](C(=O)OCC)C3)cc(C3CC3)nc21
InChIInChI=1S/C22H28N4O5/c1-3-9-26-18-17(19(27)24-22(26)30)15(11-16(23-18)13-7-8-13)20(28)25-10-5-6-14(12-25)21(29)31-4-2/h11,13-14H,3-10,12H2,1-2H3,(H,24,27,30)/t14-/m0/s1
InChIKeyBXNRWEDRXXMABQ-AWEZNQCLSA-N
XLogP1.79
TPSA114.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl (3S)-1-(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate with MolForge

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Related Compounds

7-cyclopropyl-5-[3-(methylaminomethyl)piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 119397751
5-(4-aminopiperidine-1-carbonyl)-7-cyclopropyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 119375755
ethyl (3R)-1-(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate
CID 39297698
ethyl (3S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-3-carboxylate
CID 115535610
7-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 112843664
N-(2-amino-2-methylpropyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride
CID 119629260
2-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid
CID 119348614
5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
CID 120814683
5-(6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-cyclopropyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 154861379
N-(2-aminophenyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride
CID 119422524
5-(2-methylmorpholine-4-carbonyl)-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 134054087
7-cyclopropyl-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 55967720

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate (CID 39297679) is ethyl (3S)-1-(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate is CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC[C@H](C(=O)OCC)C3)cc(C3CC3)nc21.
What is the InChIKey of ethyl (3S)-1-(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate?
The InChIKey is BXNRWEDRXXMABQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H28N4O5/c1-3-9-26-18-17(19(27)24-22(26)30)15(11-16(23-18)13-7-8-13)20(28)25-10-5-6-14(12-25)21(29)31-4-2/h11,13-14H,3-10,12H2,1-2H3,(H,24,27,30)/t14-/m0/s1.
What are the key properties of ethyl (3S)-1-(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate?
ethyl (3S)-1-(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate has a molecular weight of 428.49 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 39297679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).