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

C13H19N3O2 — CID 114195202

IUPACethyl 2-amino-5-(2-cyclopropylethylamino)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(N)ncc1NCCC1CC1
InChIInChI=1S/C13H19N3O2/c1-2-18-13(17)10-7-12(14)16-8-11(10)15-6-5-9-3-4-9/h7-9,15H,2-6H2,1H3,(H2,14,16)
InChIKeyZSMGCCDLYXLIGB-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.05
Rot. Bonds6

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

ethyl 2-amino-5-(2-cyclopropylethylamino)pyridine-4-carboxylate (PubChem CID 114195202) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl 2-amino-5-(2-cyclopropylethylamino)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-(2-cyclopropylethylamino)pyridine-4-carboxylate
PubChem CID114195202
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Nameethyl 2-amino-5-(2-cyclopropylethylamino)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(N)ncc1NCCC1CC1
InChIInChI=1S/C13H19N3O2/c1-2-18-13(17)10-7-12(14)16-8-11(10)15-6-5-9-3-4-9/h7-9,15H,2-6H2,1H3,(H2,14,16)
InChIKeyZSMGCCDLYXLIGB-UHFFFAOYSA-N
XLogP2.05
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-5-(thiolan-3-ylamino)pyridine-4-carboxylate
CID 114195432
ethyl 3-amino-2-(2-cyclopropylethylamino)benzoate
CID 112579170
ethyl 5-amino-2-(cyclobutylamino)benzoate
CID 62413866
ethyl 5-amino-2-(butylamino)benzoate
CID 61306499
ethyl 5-amino-2-(oxan-4-ylmethylamino)benzoate
CID 63705610
2-amino-5-[(1-methylpiperidin-4-yl)methylamino]pyridine-4-carboxamide
CID 114195011
ethyl 6-amino-4-(trifluoromethyl)pyridine-3-carboxylate
CID 53404700
methyl 2-amino-5-(3-methylsulfinylbutylamino)pyridine-4-carboxylate
CID 114195371
methyl 5-amino-2-[2-(1-methylpiperidin-4-yl)ethylamino]benzoate
CID 114516560
ethyl 2-(3-cyclopropylpropylamino)pyridine-3-carboxylate
CID 104695510
ethyl 2-amino-5-morpholin-4-ylpyridine-4-carboxylate
CID 114194649
ethyl 5-amino-2-(ethylamino)benzoate
CID 61313445

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-(2-cyclopropylethylamino)pyridine-4-carboxylate?
The IUPAC name of ethyl 2-amino-5-(2-cyclopropylethylamino)pyridine-4-carboxylate (CID 114195202) is ethyl 2-amino-5-(2-cyclopropylethylamino)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-(2-cyclopropylethylamino)pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-amino-5-(2-cyclopropylethylamino)pyridine-4-carboxylate is CCOC(=O)c1cc(N)ncc1NCCC1CC1.
What is the InChIKey of ethyl 2-amino-5-(2-cyclopropylethylamino)pyridine-4-carboxylate?
The InChIKey is ZSMGCCDLYXLIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-18-13(17)10-7-12(14)16-8-11(10)15-6-5-9-3-4-9/h7-9,15H,2-6H2,1H3,(H2,14,16).
What are the key properties of ethyl 2-amino-5-(2-cyclopropylethylamino)pyridine-4-carboxylate?
ethyl 2-amino-5-(2-cyclopropylethylamino)pyridine-4-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-(2-cyclopropylethylamino)pyridine-4-carboxylate is sourced from PubChem (CID 114195202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).