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

C17H22N4O3 — CID 38902551

IUPAC7-[(3S)-3-ethylpiperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC[C@H]1CCCN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C1
InChIInChI=1S/C17H22N4O3/c1-4-11-6-5-9-21(10-11)16(23)13-8-7-12-14(18-13)19(2)17(24)20(3)15(12)22/h7-8,11H,4-6,9-10H2,1-3H3/t11-/m0/s1
InChIKeyRFYXXFAORLCQNE-NSHDSACASA-N
MW330.39 g/mol
LogP0.89
Rot. Bonds2

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

7-[(3S)-3-ethylpiperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 38902551) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 7-[(3S)-3-ethylpiperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-[(3S)-3-ethylpiperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID38902551
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name7-[(3S)-3-ethylpiperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC[C@H]1CCCN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C1
InChIInChI=1S/C17H22N4O3/c1-4-11-6-5-9-21(10-11)16(23)13-8-7-12-14(18-13)19(2)17(24)20(3)15(12)22/h7-8,11H,4-6,9-10H2,1-3H3/t11-/m0/s1
InChIKeyRFYXXFAORLCQNE-NSHDSACASA-N
XLogP0.89
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

1,3-dimethyl-7-[3-(phenoxymethyl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 86971359
7-[3-(1-aminoethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 119595635
7-[3-[[4-(3-hydroxyoxolan-3-yl)triazol-1-yl]methyl]azepane-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 166334555
7-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 120803641
(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
7-[(2S)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 39680391
1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122113269
3-(3-ethylpiperidine-1-carbonyl)-1H-pyridin-4-one
CID 103337171
1,3-dimethyl-7-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 127252071
(3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone
CID 86981201
[3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 43422119
4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700662

Frequently Asked Questions

What is the IUPAC name of 7-[(3S)-3-ethylpiperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-[(3S)-3-ethylpiperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 38902551) is 7-[(3S)-3-ethylpiperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-[(3S)-3-ethylpiperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-[(3S)-3-ethylpiperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is CC[C@H]1CCCN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C1.
What is the InChIKey of 7-[(3S)-3-ethylpiperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is RFYXXFAORLCQNE-NSHDSACASA-N. The full InChI is InChI=1S/C17H22N4O3/c1-4-11-6-5-9-21(10-11)16(23)13-8-7-12-14(18-13)19(2)17(24)20(3)15(12)22/h7-8,11H,4-6,9-10H2,1-3H3/t11-/m0/s1.
What are the key properties of 7-[(3S)-3-ethylpiperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
7-[(3S)-3-ethylpiperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 330.39 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3S)-3-ethylpiperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 38902551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).