4-amino-N-(2-pyridin-2-ylethyl)oxane-4-carboxamide

C13H19N3O2 — CID 113280565

IUPAC4-amino-N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
SMILESNC1(C(=O)NCCc2ccccn2)CCOCC1
InChIInChI=1S/C13H19N3O2/c14-13(5-9-18-10-6-13)12(17)16-8-4-11-3-1-2-7-15-11/h1-3,7H,4-6,8-10,14H2,(H,16,17)
InChIKeyKDIDTRRVRJGZEZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.25
Rot. Bonds4

About 4-amino-N-(2-pyridin-2-ylethyl)oxane-4-carboxamide

4-amino-N-(2-pyridin-2-ylethyl)oxane-4-carboxamide (PubChem CID 113280565) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-amino-N-(2-pyridin-2-ylethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
PubChem CID113280565
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-amino-N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
SMILESNC1(C(=O)NCCc2ccccn2)CCOCC1
InChIInChI=1S/C13H19N3O2/c14-13(5-9-18-10-6-13)12(17)16-8-4-11-3-1-2-7-15-11/h1-3,7H,4-6,8-10,14H2,(H,16,17)
InChIKeyKDIDTRRVRJGZEZ-UHFFFAOYSA-N
XLogP0.25
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 24704991
N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
CID 51073128
1-amino-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 24708548
1-tert-butyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 51357520
4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]oxane-4-carboxamide
CID 113280694
4-[2-[(4-aminooxane-4-carbonyl)amino]ethyl]benzoic acid
CID 115294524
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyridin-2-ylethyl)urea
CID 111573294
(3aS,7aR)-5-acetyl-N-(2-pyridin-2-ylethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 125235405
(3aR,7aR)-N-(2-pyridin-2-ylethyl)-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;dihydrochloride
CID 155834162
N-(2-pyridin-2-ylethyl)morpholine-3-carboxamide;dihydrochloride
CID 119827893
2-morpholin-4-yl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 39897733

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-pyridin-2-ylethyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(2-pyridin-2-ylethyl)oxane-4-carboxamide (CID 113280565) is 4-amino-N-(2-pyridin-2-ylethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(2-pyridin-2-ylethyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(2-pyridin-2-ylethyl)oxane-4-carboxamide is NC1(C(=O)NCCc2ccccn2)CCOCC1.
What is the InChIKey of 4-amino-N-(2-pyridin-2-ylethyl)oxane-4-carboxamide?
The InChIKey is KDIDTRRVRJGZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-13(5-9-18-10-6-13)12(17)16-8-4-11-3-1-2-7-15-11/h1-3,7H,4-6,8-10,14H2,(H,16,17).
What are the key properties of 4-amino-N-(2-pyridin-2-ylethyl)oxane-4-carboxamide?
4-amino-N-(2-pyridin-2-ylethyl)oxane-4-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-pyridin-2-ylethyl)oxane-4-carboxamide is sourced from PubChem (CID 113280565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).