ethyl 6-[(3-amino-3-oxopropyl)amino]pyridine-3-carboxylate

C11H15N3O3 — CID 43532828

IUPACethyl 6-[(3-amino-3-oxopropyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCCC(N)=O)nc1
InChIInChI=1S/C11H15N3O3/c1-2-17-11(16)8-3-4-10(14-7-8)13-6-5-9(12)15/h3-4,7H,2,5-6H2,1H3,(H2,12,15)(H,13,14)
InChIKeyXOSKKPNXDGFETQ-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.55
Rot. Bonds6

About ethyl 6-[(3-amino-3-oxopropyl)amino]pyridine-3-carboxylate

ethyl 6-[(3-amino-3-oxopropyl)amino]pyridine-3-carboxylate (PubChem CID 43532828) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is ethyl 6-[(3-amino-3-oxopropyl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(3-amino-3-oxopropyl)amino]pyridine-3-carboxylate
PubChem CID43532828
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Nameethyl 6-[(3-amino-3-oxopropyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCCC(N)=O)nc1
InChIInChI=1S/C11H15N3O3/c1-2-17-11(16)8-3-4-10(14-7-8)13-6-5-9(12)15/h3-4,7H,2,5-6H2,1H3,(H2,12,15)(H,13,14)
InChIKeyXOSKKPNXDGFETQ-UHFFFAOYSA-N
XLogP0.55
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-[[3-(diethylamino)-3-oxopropyl]amino]pyridine-3-carboxylate
CID 60926074
ethyl 6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyridine-3-carboxylate
CID 115579646
ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate
CID 61166664
ethyl 6-(4,4,4-trifluorobutylamino)pyridine-3-carboxylate
CID 79040244
ethyl 6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxylate
CID 30059064
ethyl 6-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
CID 43243884
ethyl 6-(2-methylbutylamino)pyridine-3-carboxylate
CID 55108410
ethyl 6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 61362810
1-[[(5-ethoxycarbonyl-2-pyridinyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450434
ethyl 6-[(4-ethylcyclohexyl)methylamino]pyridine-3-carboxylate
CID 63541483
ethyl 4-[[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]amino]benzoate
CID 109153832
3-[(5-amino-2-pyridinyl)amino]propanamide
CID 43553393

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(3-amino-3-oxopropyl)amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[(3-amino-3-oxopropyl)amino]pyridine-3-carboxylate (CID 43532828) is ethyl 6-[(3-amino-3-oxopropyl)amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(3-amino-3-oxopropyl)amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[(3-amino-3-oxopropyl)amino]pyridine-3-carboxylate is CCOC(=O)c1ccc(NCCC(N)=O)nc1.
What is the InChIKey of ethyl 6-[(3-amino-3-oxopropyl)amino]pyridine-3-carboxylate?
The InChIKey is XOSKKPNXDGFETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-17-11(16)8-3-4-10(14-7-8)13-6-5-9(12)15/h3-4,7H,2,5-6H2,1H3,(H2,12,15)(H,13,14).
What are the key properties of ethyl 6-[(3-amino-3-oxopropyl)amino]pyridine-3-carboxylate?
ethyl 6-[(3-amino-3-oxopropyl)amino]pyridine-3-carboxylate has a molecular weight of 237.26 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(3-amino-3-oxopropyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 43532828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).