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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1-(2-Methylpropanoyl)piperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 118146819
N-ethyl-4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxamide
CID 118146871
4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 118146872
2-(Oxan-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 122178088
2-(Piperidin-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 122178090
2-[(1-Methylpiperidin-4-yl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 122178089
2-(Cyclohexylamino)-8-(4-hydroxybutan-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 45257202
Methyl 2-[6-(difluoromethyl)-2-[(1-methylsulfinylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]acetate
CID 164925590
6-(Difluoromethoxy)-2-[(4-hydroxy-1-methylsulfanylpiperidin-4-yl)amino]-8-(2-methylcyclopentyl)pyrido[2,3-d]pyrimidin-7-one
CID 167214135
methyl 4-[[6-(difluoromethoxy)-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 167214142
6-(Difluoromethoxy)-8-(3-fluorocyclopentyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 167214149
2-[(1-acetylpiperidin-4-yl)amino]-6-(difluoromethoxy)-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]pyrido[2,3-d]pyrimidin-7-one
CID 167214154

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).