ethyl 5-amino-6-(cyclohexylamino)pyridine-3-carboxylate

C14H21N3O2 — CID 22598045

IUPACethyl 5-amino-6-(cyclohexylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(NC2CCCCC2)c(N)c1
InChIInChI=1S/C14H21N3O2/c1-2-19-14(18)10-8-12(15)13(16-9-10)17-11-6-4-3-5-7-11/h8-9,11H,2-7,15H2,1H3,(H,16,17)
InChIKeyVZGZQVDCBWXKRP-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.59
Rot. Bonds4

About ethyl 5-amino-6-(cyclohexylamino)pyridine-3-carboxylate

ethyl 5-amino-6-(cyclohexylamino)pyridine-3-carboxylate (PubChem CID 22598045) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 5-amino-6-(cyclohexylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-6-(cyclohexylamino)pyridine-3-carboxylate
PubChem CID22598045
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Nameethyl 5-amino-6-(cyclohexylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(NC2CCCCC2)c(N)c1
InChIInChI=1S/C14H21N3O2/c1-2-19-14(18)10-8-12(15)13(16-9-10)17-11-6-4-3-5-7-11/h8-9,11H,2-7,15H2,1H3,(H,16,17)
InChIKeyVZGZQVDCBWXKRP-UHFFFAOYSA-N
XLogP2.59
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 5-amino-6-(cyclohexylamino)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

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-6-(cyclohexylamino)pyridine-3-carboxylate?
The IUPAC name of ethyl 5-amino-6-(cyclohexylamino)pyridine-3-carboxylate (CID 22598045) is ethyl 5-amino-6-(cyclohexylamino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-6-(cyclohexylamino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-amino-6-(cyclohexylamino)pyridine-3-carboxylate is CCOC(=O)c1cnc(NC2CCCCC2)c(N)c1.
What is the InChIKey of ethyl 5-amino-6-(cyclohexylamino)pyridine-3-carboxylate?
The InChIKey is VZGZQVDCBWXKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-19-14(18)10-8-12(15)13(16-9-10)17-11-6-4-3-5-7-11/h8-9,11H,2-7,15H2,1H3,(H,16,17).
What are the key properties of ethyl 5-amino-6-(cyclohexylamino)pyridine-3-carboxylate?
ethyl 5-amino-6-(cyclohexylamino)pyridine-3-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-6-(cyclohexylamino)pyridine-3-carboxylate is sourced from PubChem (CID 22598045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).