5-methyl-7-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride

C15H21Cl2N5O3 — CID 119493091

IUPAC5-methyl-7-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
SMILESCNC1CCCN(C(=O)c2cc(C)c3c(=O)[nH]c(=O)[nH]c3n2)C1.Cl.Cl
InChIInChI=1S/C15H19N5O3.2ClH/c1-8-6-10(14(22)20-5-3-4-9(7-20)16-2)17-12-11(8)13(21)19-15(23)18-12;;/h6,9,16H,3-5,7H2,1-2H3,(H2,17,18,19,21,23);2*1H
InChIKeyPROQPGJWIISFID-UHFFFAOYSA-N
MW390.27 g/mol
LogP0.59
Rot. Bonds2

About 5-methyl-7-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride

5-methyl-7-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride (PubChem CID 119493091) has the molecular formula C15H21Cl2N5O3 and a molecular weight of 390.27 g/mol. Its IUPAC name is 5-methyl-7-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride.

Molecular Properties

Compound Name5-methyl-7-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
PubChem CID119493091
Molecular FormulaC15H21Cl2N5O3
Molecular Weight390.27 g/mol
Exact Mass389.10
IUPAC Name5-methyl-7-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
SMILESCNC1CCCN(C(=O)c2cc(C)c3c(=O)[nH]c(=O)[nH]c3n2)C1.Cl.Cl
InChIInChI=1S/C15H19N5O3.2ClH/c1-8-6-10(14(22)20-5-3-4-9(7-20)16-2)17-12-11(8)13(21)19-15(23)18-12;;/h6,9,16H,3-5,7H2,1-2H3,(H2,17,18,19,21,23);2*1H
InChIKeyPROQPGJWIISFID-UHFFFAOYSA-N
XLogP0.59
TPSA110.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-methyl-7-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride with MolForge

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Related Compounds

[3-(methylamino)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
CID 119488384
(5-ethyl-1H-pyrazol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492861
(3,5-dimethyl-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119491533
[(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 94475780
(2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 125118280
(5-tert-butyl-1,2-oxazol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119490634
[3-(methylamino)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride
CID 119493804
(2,4-dimethylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535810
[3-(methylamino)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 63080160
(5-fluoro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492604
(2-cyclopropyl-6,8-dimethylquinolin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119491465
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride?
The IUPAC name of 5-methyl-7-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride (CID 119493091) is 5-methyl-7-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride.
What is the SMILES notation for 5-methyl-7-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride?
The canonical SMILES for 5-methyl-7-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride is CNC1CCCN(C(=O)c2cc(C)c3c(=O)[nH]c(=O)[nH]c3n2)C1.Cl.Cl.
What is the InChIKey of 5-methyl-7-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride?
The InChIKey is PROQPGJWIISFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3.2ClH/c1-8-6-10(14(22)20-5-3-4-9(7-20)16-2)17-12-11(8)13(21)19-15(23)18-12;;/h6,9,16H,3-5,7H2,1-2H3,(H2,17,18,19,21,23);2*1H.
What are the key properties of 5-methyl-7-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride?
5-methyl-7-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride has a molecular weight of 390.27 g/mol, XLogP of 0.59, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-[3-(methylamino)piperidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride is sourced from PubChem (CID 119493091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).