ethyl 2-(1-aminohexan-2-ylamino)pyridine-3-carboxylate

C14H23N3O2 — CID 80698274

IUPACethyl 2-(1-aminohexan-2-ylamino)pyridine-3-carboxylate
SMILESCCCCC(CN)Nc1ncccc1C(=O)OCC
InChIInChI=1S/C14H23N3O2/c1-3-5-7-11(10-15)17-13-12(8-6-9-16-13)14(18)19-4-2/h6,8-9,11H,3-5,7,10,15H2,1-2H3,(H,16,17)
InChIKeyXDENMHLLRXECSW-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.19
Rot. Bonds8

About ethyl 2-(1-aminohexan-2-ylamino)pyridine-3-carboxylate

ethyl 2-(1-aminohexan-2-ylamino)pyridine-3-carboxylate (PubChem CID 80698274) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is ethyl 2-(1-aminohexan-2-ylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-aminohexan-2-ylamino)pyridine-3-carboxylate
PubChem CID80698274
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nameethyl 2-(1-aminohexan-2-ylamino)pyridine-3-carboxylate
SMILESCCCCC(CN)Nc1ncccc1C(=O)OCC
InChIInChI=1S/C14H23N3O2/c1-3-5-7-11(10-15)17-13-12(8-6-9-16-13)14(18)19-4-2/h6,8-9,11H,3-5,7,10,15H2,1-2H3,(H,16,17)
InChIKeyXDENMHLLRXECSW-UHFFFAOYSA-N
XLogP2.19
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-aminohexan-2-ylamino)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(1-aminohexan-2-ylamino)pyridine-3-carboxylate (CID 80698274) is ethyl 2-(1-aminohexan-2-ylamino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(1-aminohexan-2-ylamino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(1-aminohexan-2-ylamino)pyridine-3-carboxylate is CCCCC(CN)Nc1ncccc1C(=O)OCC.
What is the InChIKey of ethyl 2-(1-aminohexan-2-ylamino)pyridine-3-carboxylate?
The InChIKey is XDENMHLLRXECSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-5-7-11(10-15)17-13-12(8-6-9-16-13)14(18)19-4-2/h6,8-9,11H,3-5,7,10,15H2,1-2H3,(H,16,17).
What are the key properties of ethyl 2-(1-aminohexan-2-ylamino)pyridine-3-carboxylate?
ethyl 2-(1-aminohexan-2-ylamino)pyridine-3-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-aminohexan-2-ylamino)pyridine-3-carboxylate is sourced from PubChem (CID 80698274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).