ethyl 2-[2-(4-methylpiperidin-1-yl)-4-oxo-5-phenylpyrido[2,3-d]pyrimidin-3-yl]acetate

C23H26N4O3 — CID 30464974

IUPACethyl 2-[2-(4-methylpiperidin-1-yl)-4-oxo-5-phenylpyrido[2,3-d]pyrimidin-3-yl]acetate
SMILESCCOC(=O)Cn1c(N2CCC(C)CC2)nc2nccc(-c3ccccc3)c2c1=O
InChIInChI=1S/C23H26N4O3/c1-3-30-19(28)15-27-22(29)20-18(17-7-5-4-6-8-17)9-12-24-21(20)25-23(27)26-13-10-16(2)11-14-26/h4-9,12,16H,3,10-11,13-15H2,1-2H3
InChIKeyLLRGRSIMWWNAEF-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.26
Rot. Bonds5

About ethyl 2-[2-(4-methylpiperidin-1-yl)-4-oxo-5-phenylpyrido[2,3-d]pyrimidin-3-yl]acetate

ethyl 2-[2-(4-methylpiperidin-1-yl)-4-oxo-5-phenylpyrido[2,3-d]pyrimidin-3-yl]acetate (PubChem CID 30464974) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is ethyl 2-[2-(4-methylpiperidin-1-yl)-4-oxo-5-phenylpyrido[2,3-d]pyrimidin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-methylpiperidin-1-yl)-4-oxo-5-phenylpyrido[2,3-d]pyrimidin-3-yl]acetate
PubChem CID30464974
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Nameethyl 2-[2-(4-methylpiperidin-1-yl)-4-oxo-5-phenylpyrido[2,3-d]pyrimidin-3-yl]acetate
SMILESCCOC(=O)Cn1c(N2CCC(C)CC2)nc2nccc(-c3ccccc3)c2c1=O
InChIInChI=1S/C23H26N4O3/c1-3-30-19(28)15-27-22(29)20-18(17-7-5-4-6-8-17)9-12-24-21(20)25-23(27)26-13-10-16(2)11-14-26/h4-9,12,16H,3,10-11,13-15H2,1-2H3
InChIKeyLLRGRSIMWWNAEF-UHFFFAOYSA-N
XLogP3.26
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-methylpiperidin-1-yl)-4-oxo-5-phenylpyrido[2,3-d]pyrimidin-3-yl]acetate?
The IUPAC name of ethyl 2-[2-(4-methylpiperidin-1-yl)-4-oxo-5-phenylpyrido[2,3-d]pyrimidin-3-yl]acetate (CID 30464974) is ethyl 2-[2-(4-methylpiperidin-1-yl)-4-oxo-5-phenylpyrido[2,3-d]pyrimidin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(4-methylpiperidin-1-yl)-4-oxo-5-phenylpyrido[2,3-d]pyrimidin-3-yl]acetate?
The canonical SMILES for ethyl 2-[2-(4-methylpiperidin-1-yl)-4-oxo-5-phenylpyrido[2,3-d]pyrimidin-3-yl]acetate is CCOC(=O)Cn1c(N2CCC(C)CC2)nc2nccc(-c3ccccc3)c2c1=O.
What is the InChIKey of ethyl 2-[2-(4-methylpiperidin-1-yl)-4-oxo-5-phenylpyrido[2,3-d]pyrimidin-3-yl]acetate?
The InChIKey is LLRGRSIMWWNAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-3-30-19(28)15-27-22(29)20-18(17-7-5-4-6-8-17)9-12-24-21(20)25-23(27)26-13-10-16(2)11-14-26/h4-9,12,16H,3,10-11,13-15H2,1-2H3.
What are the key properties of ethyl 2-[2-(4-methylpiperidin-1-yl)-4-oxo-5-phenylpyrido[2,3-d]pyrimidin-3-yl]acetate?
ethyl 2-[2-(4-methylpiperidin-1-yl)-4-oxo-5-phenylpyrido[2,3-d]pyrimidin-3-yl]acetate has a molecular weight of 406.49 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-methylpiperidin-1-yl)-4-oxo-5-phenylpyrido[2,3-d]pyrimidin-3-yl]acetate is sourced from PubChem (CID 30464974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).