N-(5-amino-2-pyridinyl)-N-ethyloxane-4-carboxamide

C13H19N3O2 — CID 115268158

IUPACN-(5-amino-2-pyridinyl)-N-ethyloxane-4-carboxamide
SMILESCCN(C(=O)C1CCOCC1)c1ccc(N)cn1
InChIInChI=1S/C13H19N3O2/c1-2-16(12-4-3-11(14)9-15-12)13(17)10-5-7-18-8-6-10/h3-4,9-10H,2,5-8,14H2,1H3
InChIKeyGSDZKAJFCDQMEF-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.44
Rot. Bonds3

About N-(5-amino-2-pyridinyl)-N-ethyloxane-4-carboxamide

N-(5-amino-2-pyridinyl)-N-ethyloxane-4-carboxamide (PubChem CID 115268158) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(5-amino-2-pyridinyl)-N-ethyloxane-4-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-pyridinyl)-N-ethyloxane-4-carboxamide
PubChem CID115268158
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(5-amino-2-pyridinyl)-N-ethyloxane-4-carboxamide
SMILESCCN(C(=O)C1CCOCC1)c1ccc(N)cn1
InChIInChI=1S/C13H19N3O2/c1-2-16(12-4-3-11(14)9-15-12)13(17)10-5-7-18-8-6-10/h3-4,9-10H,2,5-8,14H2,1H3
InChIKeyGSDZKAJFCDQMEF-UHFFFAOYSA-N
XLogP1.44
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 115268124
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CID 54255048
N-(5-amino-2-pyridinyl)-N-ethyl-3-methylbenzamide
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N-(5-amino-2-pyridinyl)-5-bromo-N-ethylthiophene-2-carboxamide
CID 115273887
N-(5-amino-2-pyridinyl)-2-(2-bromophenyl)-N-ethylacetamide
CID 115268156
ethyl 2-[formyl-[5-(oxan-4-yloxy)-2-pyridinyl]amino]acetate
CID 174174957
N-(5-amino-2-pyridinyl)-2-cyclohexyl-N-methylacetamide
CID 115273841
2-N-ethyl-2-N-methylpyridine-2,5-diamine
CID 43263136
2-(5-amino-2-pyridinyl)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
CID 120625769
2-(5-amino-2-pyridinyl)-N-(cyclopropylmethyl)-N-ethylacetamide;hydrochloride
CID 120632760
2-(5-amino-2-pyridinyl)-N-(oxolan-3-yl)acetamide
CID 107339286

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-pyridinyl)-N-ethyloxane-4-carboxamide?
The IUPAC name of N-(5-amino-2-pyridinyl)-N-ethyloxane-4-carboxamide (CID 115268158) is N-(5-amino-2-pyridinyl)-N-ethyloxane-4-carboxamide.
What is the SMILES notation for N-(5-amino-2-pyridinyl)-N-ethyloxane-4-carboxamide?
The canonical SMILES for N-(5-amino-2-pyridinyl)-N-ethyloxane-4-carboxamide is CCN(C(=O)C1CCOCC1)c1ccc(N)cn1.
What is the InChIKey of N-(5-amino-2-pyridinyl)-N-ethyloxane-4-carboxamide?
The InChIKey is GSDZKAJFCDQMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-16(12-4-3-11(14)9-15-12)13(17)10-5-7-18-8-6-10/h3-4,9-10H,2,5-8,14H2,1H3.
What are the key properties of N-(5-amino-2-pyridinyl)-N-ethyloxane-4-carboxamide?
N-(5-amino-2-pyridinyl)-N-ethyloxane-4-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-pyridinyl)-N-ethyloxane-4-carboxamide is sourced from PubChem (CID 115268158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).