ethyl 3-amino-2-[(1,3-dimethylpiperidin-4-yl)amino]pyridine-4-carboxylate

C15H24N4O2 — CID 114505844

IUPACethyl 3-amino-2-[(1,3-dimethylpiperidin-4-yl)amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(NC2CCN(C)CC2C)c1N
InChIInChI=1S/C15H24N4O2/c1-4-21-15(20)11-5-7-17-14(13(11)16)18-12-6-8-19(3)9-10(12)2/h5,7,10,12H,4,6,8-9,16H2,1-3H3,(H,17,18)
InChIKeyZGZYSULVIOAZPV-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.59
Rot. Bonds4

About ethyl 3-amino-2-[(1,3-dimethylpiperidin-4-yl)amino]pyridine-4-carboxylate

ethyl 3-amino-2-[(1,3-dimethylpiperidin-4-yl)amino]pyridine-4-carboxylate (PubChem CID 114505844) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 3-amino-2-[(1,3-dimethylpiperidin-4-yl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-2-[(1,3-dimethylpiperidin-4-yl)amino]pyridine-4-carboxylate
PubChem CID114505844
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Nameethyl 3-amino-2-[(1,3-dimethylpiperidin-4-yl)amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(NC2CCN(C)CC2C)c1N
InChIInChI=1S/C15H24N4O2/c1-4-21-15(20)11-5-7-17-14(13(11)16)18-12-6-8-19(3)9-10(12)2/h5,7,10,12H,4,6,8-9,16H2,1-3H3,(H,17,18)
InChIKeyZGZYSULVIOAZPV-UHFFFAOYSA-N
XLogP1.59
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-[(1,3-dimethylpiperidin-4-yl)amino]pyridine-4-carboxylate?
The IUPAC name of ethyl 3-amino-2-[(1,3-dimethylpiperidin-4-yl)amino]pyridine-4-carboxylate (CID 114505844) is ethyl 3-amino-2-[(1,3-dimethylpiperidin-4-yl)amino]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-2-[(1,3-dimethylpiperidin-4-yl)amino]pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-amino-2-[(1,3-dimethylpiperidin-4-yl)amino]pyridine-4-carboxylate is CCOC(=O)c1ccnc(NC2CCN(C)CC2C)c1N.
What is the InChIKey of ethyl 3-amino-2-[(1,3-dimethylpiperidin-4-yl)amino]pyridine-4-carboxylate?
The InChIKey is ZGZYSULVIOAZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-4-21-15(20)11-5-7-17-14(13(11)16)18-12-6-8-19(3)9-10(12)2/h5,7,10,12H,4,6,8-9,16H2,1-3H3,(H,17,18).
What are the key properties of ethyl 3-amino-2-[(1,3-dimethylpiperidin-4-yl)amino]pyridine-4-carboxylate?
ethyl 3-amino-2-[(1,3-dimethylpiperidin-4-yl)amino]pyridine-4-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-[(1,3-dimethylpiperidin-4-yl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 114505844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).