ethyl 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylate

C13H19N3O2 — CID 2762483

IUPACethyl 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(N2CCN(C)CC2)c1
InChIInChI=1S/C13H19N3O2/c1-3-18-13(17)11-4-5-14-12(10-11)16-8-6-15(2)7-9-16/h4-5,10H,3,6-9H2,1-2H3
InChIKeyHGMRXLZVAAVHGD-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.01
Rot. Bonds3

About ethyl 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylate

ethyl 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylate (PubChem CID 2762483) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylate
PubChem CID2762483
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Nameethyl 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(N2CCN(C)CC2)c1
InChIInChI=1S/C13H19N3O2/c1-3-18-13(17)11-4-5-14-12(10-11)16-8-6-15(2)7-9-16/h4-5,10H,3,6-9H2,1-2H3
InChIKeyHGMRXLZVAAVHGD-UHFFFAOYSA-N
XLogP1.01
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(4-methylpiperazin-1-yl)pyridine-4-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

2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
ethyl 4-[(2-piperidin-1-ylpyridine-4-carbonyl)amino]benzoate
CID 109166245
N-(1-amino-2-methylpropan-2-yl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 119524654
ethyl 2-[[2-(4-ethylpiperazin-1-yl)pyridine-4-carbonyl]amino]benzoate
CID 109168819
ethyl 4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-pyridinyl]piperazine-1-carboxylate
CID 109172337
N-[2-(ethylamino)-4-methylphenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 119047944
methyl 2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]acetate
CID 67382772
N-[(3R)-3-methoxybutyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 97212701
(3-aminopiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 119381223
N-(4-aminocyclohexyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 119478490
ethyl 2,6-bis(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;trichlororuthenium
CID 145155892
ethyl 6-[4-(5-ethoxycarbonyl-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 32800544

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylate?
The IUPAC name of ethyl 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylate (CID 2762483) is ethyl 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylate is CCOC(=O)c1ccnc(N2CCN(C)CC2)c1.
What is the InChIKey of ethyl 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylate?
The InChIKey is HGMRXLZVAAVHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-18-13(17)11-4-5-14-12(10-11)16-8-6-15(2)7-9-16/h4-5,10H,3,6-9H2,1-2H3.
What are the key properties of ethyl 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylate?
ethyl 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylate is sourced from PubChem (CID 2762483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).