sodium 3-[2-(5-methyl-2-pyridinyl)ethylcarbamoyl]cyclobutane-1-carboxylate

C14H17N2NaO3 — CID 166249691

IUPACsodium 3-[2-(5-methyl-2-pyridinyl)ethylcarbamoyl]cyclobutane-1-carboxylate
SMILESCc1ccc(CCNC(=O)C2CC(C(=O)[O-])C2)nc1.[Na+]
InChIInChI=1S/C14H18N2O3.Na/c1-9-2-3-12(16-8-9)4-5-15-13(17)10-6-11(7-10)14(18)19;/h2-3,8,10-11H,4-7H2,1H3,(H,15,17)(H,18,19);/q;+1/p-1
InChIKeyVNRPWOHXQOTWKN-UHFFFAOYSA-M
MW284.29 g/mol
LogP-3.17
Rot. Bonds5

About sodium 3-[2-(5-methyl-2-pyridinyl)ethylcarbamoyl]cyclobutane-1-carboxylate

sodium 3-[2-(5-methyl-2-pyridinyl)ethylcarbamoyl]cyclobutane-1-carboxylate (PubChem CID 166249691) has the molecular formula C14H17N2NaO3 and a molecular weight of 284.29 g/mol. Its IUPAC name is sodium 3-[2-(5-methyl-2-pyridinyl)ethylcarbamoyl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Namesodium 3-[2-(5-methyl-2-pyridinyl)ethylcarbamoyl]cyclobutane-1-carboxylate
PubChem CID166249691
Molecular FormulaC14H17N2NaO3
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Namesodium 3-[2-(5-methyl-2-pyridinyl)ethylcarbamoyl]cyclobutane-1-carboxylate
SMILESCc1ccc(CCNC(=O)C2CC(C(=O)[O-])C2)nc1.[Na+]
InChIInChI=1S/C14H18N2O3.Na/c1-9-2-3-12(16-8-9)4-5-15-13(17)10-6-11(7-10)14(18)19;/h2-3,8,10-11H,4-7H2,1H3,(H,15,17)(H,18,19);/q;+1/p-1
InChIKeyVNRPWOHXQOTWKN-UHFFFAOYSA-M
XLogP-3.17
TPSA82.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 5-3.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze sodium 3-[2-(5-methyl-2-pyridinyl)ethylcarbamoyl]cyclobutane-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 sodium 3-[2-(5-methyl-2-pyridinyl)ethylcarbamoyl]cyclobutane-1-carboxylate?
The IUPAC name of sodium 3-[2-(5-methyl-2-pyridinyl)ethylcarbamoyl]cyclobutane-1-carboxylate (CID 166249691) is sodium 3-[2-(5-methyl-2-pyridinyl)ethylcarbamoyl]cyclobutane-1-carboxylate.
What is the SMILES notation for sodium 3-[2-(5-methyl-2-pyridinyl)ethylcarbamoyl]cyclobutane-1-carboxylate?
The canonical SMILES for sodium 3-[2-(5-methyl-2-pyridinyl)ethylcarbamoyl]cyclobutane-1-carboxylate is Cc1ccc(CCNC(=O)C2CC(C(=O)[O-])C2)nc1.[Na+].
What is the InChIKey of sodium 3-[2-(5-methyl-2-pyridinyl)ethylcarbamoyl]cyclobutane-1-carboxylate?
The InChIKey is VNRPWOHXQOTWKN-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H18N2O3.Na/c1-9-2-3-12(16-8-9)4-5-15-13(17)10-6-11(7-10)14(18)19;/h2-3,8,10-11H,4-7H2,1H3,(H,15,17)(H,18,19);/q;+1/p-1.
What are the key properties of sodium 3-[2-(5-methyl-2-pyridinyl)ethylcarbamoyl]cyclobutane-1-carboxylate?
sodium 3-[2-(5-methyl-2-pyridinyl)ethylcarbamoyl]cyclobutane-1-carboxylate has a molecular weight of 284.29 g/mol, XLogP of -3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-[2-(5-methyl-2-pyridinyl)ethylcarbamoyl]cyclobutane-1-carboxylate is sourced from PubChem (CID 166249691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).