ethyl 5-amino-2-(2-ethoxypropylamino)pyridine-4-carboxylate

C13H21N3O3 — CID 114090593

IUPACethyl 5-amino-2-(2-ethoxypropylamino)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(NCC(C)OCC)ncc1N
InChIInChI=1S/C13H21N3O3/c1-4-18-9(3)7-15-12-6-10(11(14)8-16-12)13(17)19-5-2/h6,8-9H,4-5,7,14H2,1-3H3,(H,15,16)
InChIKeyMJNKRPXKXHFXDT-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.68
Rot. Bonds7

About ethyl 5-amino-2-(2-ethoxypropylamino)pyridine-4-carboxylate

ethyl 5-amino-2-(2-ethoxypropylamino)pyridine-4-carboxylate (PubChem CID 114090593) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is ethyl 5-amino-2-(2-ethoxypropylamino)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-(2-ethoxypropylamino)pyridine-4-carboxylate
PubChem CID114090593
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Nameethyl 5-amino-2-(2-ethoxypropylamino)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(NCC(C)OCC)ncc1N
InChIInChI=1S/C13H21N3O3/c1-4-18-9(3)7-15-12-6-10(11(14)8-16-12)13(17)19-5-2/h6,8-9H,4-5,7,14H2,1-3H3,(H,15,16)
InChIKeyMJNKRPXKXHFXDT-UHFFFAOYSA-N
XLogP1.68
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-amino-2-[2-(trifluoromethylsulfanyl)ethylamino]pyridine-4-carboxylate
CID 106432611
4-amino-N-(2-ethoxypropyl)-6-methylpyridine-3-carboxamide
CID 113478178
ethyl 5-amino-2-(morpholin-4-ylamino)pyridine-4-carboxylate
CID 114090508
ethyl 5-amino-2-[(3-methyloxolan-3-yl)amino]pyridine-4-carboxylate
CID 114090606
5-bromo-N-(2-ethoxypropyl)pyridin-2-amine
CID 115658186
methyl 5-amino-2-(2-methylpentan-3-ylamino)pyridine-4-carboxylate
CID 114090196
ethyl 5-amino-2-[propan-2-yl(propyl)amino]pyridine-4-carboxylate
CID 114090076
methyl 5-amino-2-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylate
CID 106039508
ethyl 6-(2-methylbutylamino)pyridine-3-carboxylate
CID 55108410
ethyl 2-amino-5-(2-methylpropylamino)benzoate
CID 61312656
5-chloro-N-(2-ethoxypropyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924522
methyl 5-amino-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylate
CID 114090411

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-(2-ethoxypropylamino)pyridine-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-(2-ethoxypropylamino)pyridine-4-carboxylate (CID 114090593) is ethyl 5-amino-2-(2-ethoxypropylamino)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-(2-ethoxypropylamino)pyridine-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-(2-ethoxypropylamino)pyridine-4-carboxylate is CCOC(=O)c1cc(NCC(C)OCC)ncc1N.
What is the InChIKey of ethyl 5-amino-2-(2-ethoxypropylamino)pyridine-4-carboxylate?
The InChIKey is MJNKRPXKXHFXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-4-18-9(3)7-15-12-6-10(11(14)8-16-12)13(17)19-5-2/h6,8-9H,4-5,7,14H2,1-3H3,(H,15,16).
What are the key properties of ethyl 5-amino-2-(2-ethoxypropylamino)pyridine-4-carboxylate?
ethyl 5-amino-2-(2-ethoxypropylamino)pyridine-4-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-(2-ethoxypropylamino)pyridine-4-carboxylate is sourced from PubChem (CID 114090593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).