[3-(ethylamino)-3-oxopropyl] 5-aminopyridine-2-carboxylate

C11H15N3O3 — CID 81315855

IUPAC[3-(ethylamino)-3-oxopropyl] 5-aminopyridine-2-carboxylate
SMILESCCNC(=O)CCOC(=O)c1ccc(N)cn1
InChIInChI=1S/C11H15N3O3/c1-2-13-10(15)5-6-17-11(16)9-4-3-8(12)7-14-9/h3-4,7H,2,5-6,12H2,1H3,(H,13,15)
InChIKeyYVDZEIBGEIQYAN-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.35
Rot. Bonds5

About [3-(ethylamino)-3-oxopropyl] 5-aminopyridine-2-carboxylate

[3-(ethylamino)-3-oxopropyl] 5-aminopyridine-2-carboxylate (PubChem CID 81315855) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is [3-(ethylamino)-3-oxopropyl] 5-aminopyridine-2-carboxylate.

Molecular Properties

Compound Name[3-(ethylamino)-3-oxopropyl] 5-aminopyridine-2-carboxylate
PubChem CID81315855
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name[3-(ethylamino)-3-oxopropyl] 5-aminopyridine-2-carboxylate
SMILESCCNC(=O)CCOC(=O)c1ccc(N)cn1
InChIInChI=1S/C11H15N3O3/c1-2-13-10(15)5-6-17-11(16)9-4-3-8(12)7-14-9/h3-4,7H,2,5-6,12H2,1H3,(H,13,15)
InChIKeyYVDZEIBGEIQYAN-UHFFFAOYSA-N
XLogP0.35
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

butyl 5-aminopyridine-2-carboxylate
CID 81315833
2-methylsulfonylethyl 5-aminopyridine-2-carboxylate
CID 81316375
[2-(butan-2-ylamino)-2-oxoethyl] 5-aminopyridine-2-carboxylate
CID 81316734
5-hydroxypentyl 5-aminopyridine-2-carboxylate
CID 81315730
6-hydroxyhexyl 5-aminopyridine-2-carboxylate
CID 104934318
2-(4-methoxyphenoxy)ethyl 5-aminopyridine-2-carboxylate
CID 81312356
[3-(ethylamino)-3-oxopropyl] 2-(4-aminophenoxy)acetate
CID 62326119
2-phenylethyl 5-aminopyridine-2-carboxylate
CID 81316626
5-amino-N-(cyclopropylmethyl)pyridine-2-carboxamide
CID 81319676
[1-(butan-2-ylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate
CID 81317384
(1-ethylpyrazol-4-yl)methyl 5-aminopyridine-2-carboxylate
CID 81315729
[3-(ethylamino)-3-oxopropyl] 2-amino-3-methylbenzoate
CID 62325192

Frequently Asked Questions

What is the IUPAC name of [3-(ethylamino)-3-oxopropyl] 5-aminopyridine-2-carboxylate?
The IUPAC name of [3-(ethylamino)-3-oxopropyl] 5-aminopyridine-2-carboxylate (CID 81315855) is [3-(ethylamino)-3-oxopropyl] 5-aminopyridine-2-carboxylate.
What is the SMILES notation for [3-(ethylamino)-3-oxopropyl] 5-aminopyridine-2-carboxylate?
The canonical SMILES for [3-(ethylamino)-3-oxopropyl] 5-aminopyridine-2-carboxylate is CCNC(=O)CCOC(=O)c1ccc(N)cn1.
What is the InChIKey of [3-(ethylamino)-3-oxopropyl] 5-aminopyridine-2-carboxylate?
The InChIKey is YVDZEIBGEIQYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-13-10(15)5-6-17-11(16)9-4-3-8(12)7-14-9/h3-4,7H,2,5-6,12H2,1H3,(H,13,15).
What are the key properties of [3-(ethylamino)-3-oxopropyl] 5-aminopyridine-2-carboxylate?
[3-(ethylamino)-3-oxopropyl] 5-aminopyridine-2-carboxylate has a molecular weight of 237.26 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethylamino)-3-oxopropyl] 5-aminopyridine-2-carboxylate is sourced from PubChem (CID 81315855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).