5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride

C20H29Cl2N5O3 — CID 120814683

IUPAC5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC(N)C(C)(C)C3)cc(C3CC3)nc21.Cl.Cl
InChIInChI=1S/C20H27N5O3.2ClH/c1-4-25-16-15(17(26)23-19(25)28)12(9-13(22-16)11-5-6-11)18(27)24-8-7-14(21)20(2,3)10-24;;/h9,11,14H,4-8,10,21H2,1-3H3,(H,23,26,28);2*1H
InChIKeySFHXZEODQXLNOO-UHFFFAOYSA-N
MW458.39 g/mol
LogP2.03
Rot. Bonds3

About 5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride

5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride (PubChem CID 120814683) has the molecular formula C20H29Cl2N5O3 and a molecular weight of 458.39 g/mol. Its IUPAC name is 5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride.

Molecular Properties

Compound Name5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
PubChem CID120814683
Molecular FormulaC20H29Cl2N5O3
Molecular Weight458.39 g/mol
Exact Mass457.16
IUPAC Name5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC(N)C(C)(C)C3)cc(C3CC3)nc21.Cl.Cl
InChIInChI=1S/C20H27N5O3.2ClH/c1-4-25-16-15(17(26)23-19(25)28)12(9-13(22-16)11-5-6-11)18(27)24-8-7-14(21)20(2,3)10-24;;/h9,11,14H,4-8,10,21H2,1-3H3,(H,23,26,28);2*1H
InChIKeySFHXZEODQXLNOO-UHFFFAOYSA-N
XLogP2.03
TPSA114.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride with MolForge

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Related Compounds

5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
CID 120804444
5-(4-aminopiperidine-1-carbonyl)-7-cyclopropyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 119375755
5-(3-aminopiperidine-1-carbonyl)-7-cyclopropyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride
CID 119380475
7-cyclopropyl-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 55967720
(4-fluorophenyl)methyl 7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 71897602
(4-amino-3,3-dimethylpiperidin-1-yl)-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 120815555
ethyl (3S)-1-(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate
CID 39297679
5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1-ethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
CID 119486618
7-cyclopropyl-1-ethyl-2,4-dioxo-N-(2-phenylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 37248102
7-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 112843664
7-cyclopropyl-5-[3-(methylaminomethyl)piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 119397751
(4-amino-3,3-dimethylpiperidin-1-yl)-(6-chloro-2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 120814660

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride?
The IUPAC name of 5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride (CID 120814683) is 5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride.
What is the SMILES notation for 5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride?
The canonical SMILES for 5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride is CCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC(N)C(C)(C)C3)cc(C3CC3)nc21.Cl.Cl.
What is the InChIKey of 5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride?
The InChIKey is SFHXZEODQXLNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3.2ClH/c1-4-25-16-15(17(26)23-19(25)28)12(9-13(22-16)11-5-6-11)18(27)24-8-7-14(21)20(2,3)10-24;;/h9,11,14H,4-8,10,21H2,1-3H3,(H,23,26,28);2*1H.
What are the key properties of 5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride?
5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride has a molecular weight of 458.39 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride is sourced from PubChem (CID 120814683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).