methyl 2-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-3-carboxylate

C13H18N2O4 — CID 62005155

IUPACmethyl 2-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-3-carboxylate
SMILESCCN(CCC(=O)OC)c1ncccc1C(=O)OC
InChIInChI=1S/C13H18N2O4/c1-4-15(9-7-11(16)18-2)12-10(13(17)19-3)6-5-8-14-12/h5-6,8H,4,7,9H2,1-3H3
InChIKeyXZTUVGCFJAYJMD-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.26
Rot. Bonds6

About methyl 2-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-3-carboxylate

methyl 2-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-3-carboxylate (PubChem CID 62005155) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 2-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-3-carboxylate
PubChem CID62005155
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl 2-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-3-carboxylate
SMILESCCN(CCC(=O)OC)c1ncccc1C(=O)OC
InChIInChI=1S/C13H18N2O4/c1-4-15(9-7-11(16)18-2)12-10(13(17)19-3)6-5-8-14-12/h5-6,8H,4,7,9H2,1-3H3
InChIKeyXZTUVGCFJAYJMD-UHFFFAOYSA-N
XLogP1.26
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-3-carboxylate 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

methyl 3-[(3-carbamoyl-2-pyridinyl)-(2-methoxyethyl)amino]propanoate
CID 115538155
methyl 2-[(2-ethoxy-2-oxoethyl)-propylamino]pyridine-3-carboxylate
CID 62007022
methyl 3-[(5-bromoisoquinolin-1-yl)-ethylamino]propanoate
CID 106541921
methyl 3-[ethyl-(5-methoxyisoquinolin-1-yl)amino]propanoate
CID 106541919
methyl 4-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-2-carboxylate
CID 66285535
methyl 3-[(3-chloro-2-pyridinyl)-(2-methoxyethyl)amino]propanoate
CID 113331207
2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid
CID 63690234
ethyl 2-[(2-methoxy-2-oxoethyl)-methylamino]pyridine-3-carboxylate
CID 55037918
methyl 2-[[(3-methoxy-3-oxopropyl)amino]methyl]pyridine-3-carboxylate
CID 114198641
CID 87392386
CID 87392386
2-[tert-butyl-(3-methoxycarbonyl-2-pyridinyl)amino]acetic acid
CID 79269179
methyl 2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylate
CID 55098006

Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-3-carboxylate (CID 62005155) is methyl 2-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-3-carboxylate is CCN(CCC(=O)OC)c1ncccc1C(=O)OC.
What is the InChIKey of methyl 2-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-3-carboxylate?
The InChIKey is XZTUVGCFJAYJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-4-15(9-7-11(16)18-2)12-10(13(17)19-3)6-5-8-14-12/h5-6,8H,4,7,9H2,1-3H3.
What are the key properties of methyl 2-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-3-carboxylate?
methyl 2-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-3-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 1.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 62005155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).