6-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride

C18H27Cl2N5O3 — CID 119644795

IUPAC6-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
SMILESCCNCC1CCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1.Cl.Cl
InChIInChI=1S/C18H25N5O3.2ClH/c1-4-19-10-12-5-7-23(8-6-12)16(24)13-9-14-15(20-11-13)21(2)18(26)22(3)17(14)25;;/h9,11-12,19H,4-8,10H2,1-3H3;2*1H
InChIKeyKMBZUCAZMFJUHU-UHFFFAOYSA-N
MW432.35 g/mol
LogP0.94
Rot. Bonds4

About 6-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride

6-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride (PubChem CID 119644795) has the molecular formula C18H27Cl2N5O3 and a molecular weight of 432.35 g/mol. Its IUPAC name is 6-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride.

Molecular Properties

Compound Name6-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
PubChem CID119644795
Molecular FormulaC18H27Cl2N5O3
Molecular Weight432.35 g/mol
Exact Mass431.15
IUPAC Name6-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
SMILESCCNCC1CCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1.Cl.Cl
InChIInChI=1S/C18H25N5O3.2ClH/c1-4-19-10-12-5-7-23(8-6-12)16(24)13-9-14-15(20-11-13)21(2)18(26)22(3)17(14)25;;/h9,11-12,19H,4-8,10H2,1-3H3;2*1H
InChIKeyKMBZUCAZMFJUHU-UHFFFAOYSA-N
XLogP0.94
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.35
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride with MolForge

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Related Compounds

1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide
CID 36525528
(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119645490
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride
CID 119645414
1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid
CID 119355794
N-[2-(cycloheptylamino)ethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride
CID 119619498
(3,4-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646390
(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119543986
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437
(3,5-dimethoxy-4-methylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119648224
methyl 2-(4-chlorophenyl)-2-[4-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]acetate
CID 43063801
1,3-dimethyl-N-(2-methylbutan-2-yl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 86919548
(4-bromophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551597

Frequently Asked Questions

What is the IUPAC name of 6-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride?
The IUPAC name of 6-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride (CID 119644795) is 6-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride.
What is the SMILES notation for 6-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride?
The canonical SMILES for 6-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride is CCNCC1CCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1.Cl.Cl.
What is the InChIKey of 6-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride?
The InChIKey is KMBZUCAZMFJUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3.2ClH/c1-4-19-10-12-5-7-23(8-6-12)16(24)13-9-14-15(20-11-13)21(2)18(26)22(3)17(14)25;;/h9,11-12,19H,4-8,10H2,1-3H3;2*1H.
What are the key properties of 6-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride?
6-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride has a molecular weight of 432.35 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride is sourced from PubChem (CID 119644795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).