ethyl 4-[(6-ethoxy-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylate

C18H25N5O4 — CID 23401519

IUPACethyl 4-[(6-ethoxy-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ncc3cc(OCC)c(=O)n(C)c3n2)CC1
InChIInChI=1S/C18H25N5O4/c1-4-26-14-10-12-11-19-17(21-15(12)22(3)16(14)24)20-13-6-8-23(9-7-13)18(25)27-5-2/h10-11,13H,4-9H2,1-3H3,(H,19,20,21)
InChIKeyQGWWQXHRQLYTJB-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.76
Rot. Bonds5

About ethyl 4-[(6-ethoxy-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylate

ethyl 4-[(6-ethoxy-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylate (PubChem CID 23401519) has the molecular formula C18H25N5O4 and a molecular weight of 375.43 g/mol. Its IUPAC name is ethyl 4-[(6-ethoxy-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(6-ethoxy-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylate
PubChem CID23401519
Molecular FormulaC18H25N5O4
Molecular Weight375.43 g/mol
Exact Mass375.19
IUPAC Nameethyl 4-[(6-ethoxy-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ncc3cc(OCC)c(=O)n(C)c3n2)CC1
InChIInChI=1S/C18H25N5O4/c1-4-26-14-10-12-11-19-17(21-15(12)22(3)16(14)24)20-13-6-8-23(9-7-13)18(25)27-5-2/h10-11,13H,4-9H2,1-3H3,(H,19,20,21)
InChIKeyQGWWQXHRQLYTJB-UHFFFAOYSA-N
XLogP1.76
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(6-ethoxy-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(6-ethoxy-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylate (CID 23401519) is ethyl 4-[(6-ethoxy-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(6-ethoxy-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(6-ethoxy-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2ncc3cc(OCC)c(=O)n(C)c3n2)CC1.
What is the InChIKey of ethyl 4-[(6-ethoxy-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylate?
The InChIKey is QGWWQXHRQLYTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4/c1-4-26-14-10-12-11-19-17(21-15(12)22(3)16(14)24)20-13-6-8-23(9-7-13)18(25)27-5-2/h10-11,13H,4-9H2,1-3H3,(H,19,20,21).
What are the key properties of ethyl 4-[(6-ethoxy-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylate?
ethyl 4-[(6-ethoxy-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylate has a molecular weight of 375.43 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(6-ethoxy-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 23401519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).