ethyl 2-[(3-aminocyclobutyl)amino]pyridine-3-carboxylate

C12H17N3O2 — CID 43599375

IUPACethyl 2-[(3-aminocyclobutyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NC1CC(N)C1
InChIInChI=1S/C12H17N3O2/c1-2-17-12(16)10-4-3-5-14-11(10)15-9-6-8(13)7-9/h3-5,8-9H,2,6-7,13H2,1H3,(H,14,15)
InChIKeyKIBZBEJGTSWFCY-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.16
Rot. Bonds4

About ethyl 2-[(3-aminocyclobutyl)amino]pyridine-3-carboxylate

ethyl 2-[(3-aminocyclobutyl)amino]pyridine-3-carboxylate (PubChem CID 43599375) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is ethyl 2-[(3-aminocyclobutyl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3-aminocyclobutyl)amino]pyridine-3-carboxylate
PubChem CID43599375
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Nameethyl 2-[(3-aminocyclobutyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NC1CC(N)C1
InChIInChI=1S/C12H17N3O2/c1-2-17-12(16)10-4-3-5-14-11(10)15-9-6-8(13)7-9/h3-5,8-9H,2,6-7,13H2,1H3,(H,14,15)
InChIKeyKIBZBEJGTSWFCY-UHFFFAOYSA-N
XLogP1.16
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 2-(oxan-3-ylamino)pyridine-3-carboxylate
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ethyl 2-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]pyridine-3-carboxylate
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ethyl 2-[(1,1-dioxothian-3-yl)amino]pyridine-3-carboxylate
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ethyl 2-(cyclobutylmethylamino)pyridine-3-carboxylate
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ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652
methyl 2-(cyclopropylamino)pyridine-3-carboxylate
CID 60722666
methyl 2-[(3-methoxycyclopentyl)amino]pyridine-3-carboxylate
CID 103082179
ethyl 2-(tert-butylamino)pyridine-3-carboxylate
CID 90095757
ethyl 2-(3-cyclopropylpropylamino)pyridine-3-carboxylate
CID 104695510
ethyl 2-(thian-4-ylmethylamino)pyridine-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-aminocyclobutyl)amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[(3-aminocyclobutyl)amino]pyridine-3-carboxylate (CID 43599375) is ethyl 2-[(3-aminocyclobutyl)amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[(3-aminocyclobutyl)amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[(3-aminocyclobutyl)amino]pyridine-3-carboxylate is CCOC(=O)c1cccnc1NC1CC(N)C1.
What is the InChIKey of ethyl 2-[(3-aminocyclobutyl)amino]pyridine-3-carboxylate?
The InChIKey is KIBZBEJGTSWFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-2-17-12(16)10-4-3-5-14-11(10)15-9-6-8(13)7-9/h3-5,8-9H,2,6-7,13H2,1H3,(H,14,15).
What are the key properties of ethyl 2-[(3-aminocyclobutyl)amino]pyridine-3-carboxylate?
ethyl 2-[(3-aminocyclobutyl)amino]pyridine-3-carboxylate has a molecular weight of 235.29 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-aminocyclobutyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 43599375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).