7-[3-(1-aminoethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C17H23N5O3 — CID 119595635

IUPAC7-[3-(1-aminoethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(N)C1CCCN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C1
InChIInChI=1S/C17H23N5O3/c1-10(18)11-5-4-8-22(9-11)16(24)13-7-6-12-14(19-13)20(2)17(25)21(3)15(12)23/h6-7,10-11H,4-5,8-9,18H2,1-3H3
InChIKeyQIGZGTPLQFQQGG-UHFFFAOYSA-N
MW345.40 g/mol
LogP-0.17
Rot. Bonds2

About 7-[3-(1-aminoethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

7-[3-(1-aminoethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 119595635) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 7-[3-(1-aminoethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-[3-(1-aminoethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID119595635
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name7-[3-(1-aminoethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(N)C1CCCN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C1
InChIInChI=1S/C17H23N5O3/c1-10(18)11-5-4-8-22(9-11)16(24)13-7-6-12-14(19-13)20(2)17(25)21(3)15(12)23/h6-7,10-11H,4-5,8-9,18H2,1-3H3
InChIKeyQIGZGTPLQFQQGG-UHFFFAOYSA-N
XLogP-0.17
TPSA103.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[3-(1-aminoethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

7-[(3S)-3-ethylpiperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 38902551
1,3-dimethyl-7-[3-(phenoxymethyl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 86971359
[3-(1-aminoethyl)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride
CID 119594677
7-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 120803641
[3-(1-aminoethyl)piperidin-1-yl]-(thiadiazol-4-yl)methanone
CID 65216121
(3aS,6aR)-2-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682769
N-[1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 30854687
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone
CID 124592102
[3-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride
CID 119594758
6-[3-(1-aminoethyl)piperidine-1-carbonyl]-2-(4-fluorophenyl)pyridazin-3-one
CID 119593433
1,3-dimethyl-2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 47048571
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 103793684

Frequently Asked Questions

What is the IUPAC name of 7-[3-(1-aminoethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-[3-(1-aminoethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 119595635) is 7-[3-(1-aminoethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-[3-(1-aminoethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-[3-(1-aminoethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is CC(N)C1CCCN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C1.
What is the InChIKey of 7-[3-(1-aminoethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is QIGZGTPLQFQQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-10(18)11-5-4-8-22(9-11)16(24)13-7-6-12-14(19-13)20(2)17(25)21(3)15(12)23/h6-7,10-11H,4-5,8-9,18H2,1-3H3.
What are the key properties of 7-[3-(1-aminoethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
7-[3-(1-aminoethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 345.40 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(1-aminoethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 119595635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).