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

C16H21N5O4 — CID 71165845

IUPAC4-[(6-ethoxy-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylic acid
SMILESCCOc1cc2cnc(NC3CCN(C(=O)O)CC3)nc2n(C)c1=O
InChIInChI=1S/C16H21N5O4/c1-3-25-12-8-10-9-17-15(19-13(10)20(2)14(12)22)18-11-4-6-21(7-5-11)16(23)24/h8-9,11H,3-7H2,1-2H3,(H,23,24)(H,17,18,19)
InChIKeyRSUVYKCILJRNJY-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.28
Rot. Bonds4

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

4-[(6-ethoxy-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylic acid (PubChem CID 71165845) has the molecular formula C16H21N5O4 and a molecular weight of 347.38 g/mol. Its IUPAC name is 4-[(6-ethoxy-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(6-ethoxy-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylic acid
PubChem CID71165845
Molecular FormulaC16H21N5O4
Molecular Weight347.38 g/mol
Exact Mass347.16
IUPAC Name4-[(6-ethoxy-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylic acid
SMILESCCOc1cc2cnc(NC3CCN(C(=O)O)CC3)nc2n(C)c1=O
InChIInChI=1S/C16H21N5O4/c1-3-25-12-8-10-9-17-15(19-13(10)20(2)14(12)22)18-11-4-6-21(7-5-11)16(23)24/h8-9,11H,3-7H2,1-2H3,(H,23,24)(H,17,18,19)
InChIKeyRSUVYKCILJRNJY-UHFFFAOYSA-N
XLogP1.28
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-ethoxy-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(6-ethoxy-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylic acid (CID 71165845) is 4-[(6-ethoxy-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(6-ethoxy-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(6-ethoxy-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylic acid is CCOc1cc2cnc(NC3CCN(C(=O)O)CC3)nc2n(C)c1=O.
What is the InChIKey of 4-[(6-ethoxy-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylic acid?
The InChIKey is RSUVYKCILJRNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O4/c1-3-25-12-8-10-9-17-15(19-13(10)20(2)14(12)22)18-11-4-6-21(7-5-11)16(23)24/h8-9,11H,3-7H2,1-2H3,(H,23,24)(H,17,18,19).
What are the key properties of 4-[(6-ethoxy-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylic acid?
4-[(6-ethoxy-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylic acid has a molecular weight of 347.38 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-ethoxy-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 71165845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).