ethyl 4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazine-1-carboxylate

C18H21ClN4O2 — CID 67508981

IUPACethyl 4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1
InChIInChI=1S/C18H21ClN4O2/c1-3-25-18(24)23-9-7-22(8-10-23)16-11-14(15(19)12-21-16)17-13(2)5-4-6-20-17/h4-6,11-12H,3,7-10H2,1-2H3
InChIKeyRPMPXYCWDAZPGT-UHFFFAOYSA-N
MW360.85 g/mol
LogP3.38
Rot. Bonds3

About ethyl 4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazine-1-carboxylate

ethyl 4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazine-1-carboxylate (PubChem CID 67508981) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is ethyl 4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazine-1-carboxylate
PubChem CID67508981
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Nameethyl 4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1
InChIInChI=1S/C18H21ClN4O2/c1-3-25-18(24)23-9-7-22(8-10-23)16-11-14(15(19)12-21-16)17-13(2)5-4-6-20-17/h4-6,11-12H,3,7-10H2,1-2H3
InChIKeyRPMPXYCWDAZPGT-UHFFFAOYSA-N
XLogP3.38
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazine-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazine-1-carboxylate (CID 67508981) is ethyl 4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1.
What is the InChIKey of ethyl 4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazine-1-carboxylate?
The InChIKey is RPMPXYCWDAZPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-3-25-18(24)23-9-7-22(8-10-23)16-11-14(15(19)12-21-16)17-13(2)5-4-6-20-17/h4-6,11-12H,3,7-10H2,1-2H3.
What are the key properties of ethyl 4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazine-1-carboxylate?
ethyl 4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazine-1-carboxylate has a molecular weight of 360.85 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 67508981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).