2-(4-amino-2-pyridinyl)oxan-4-one

C10H12N2O2 — CID 172993047

IUPAC2-(4-amino-2-pyridinyl)oxan-4-one
SMILESNc1ccnc(C2CC(=O)CCO2)c1
InChIInChI=1S/C10H12N2O2/c11-7-1-3-12-9(5-7)10-6-8(13)2-4-14-10/h1,3,5,10H,2,4,6H2,(H2,11,12)
InChIKeyJUTCBRYMSXDPTI-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.08
Rot. Bonds1

About 2-(4-amino-2-pyridinyl)oxan-4-one

2-(4-amino-2-pyridinyl)oxan-4-one (PubChem CID 172993047) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-(4-amino-2-pyridinyl)oxan-4-one.

Molecular Properties

Compound Name2-(4-amino-2-pyridinyl)oxan-4-one
PubChem CID172993047
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-(4-amino-2-pyridinyl)oxan-4-one
SMILESNc1ccnc(C2CC(=O)CCO2)c1
InChIInChI=1S/C10H12N2O2/c11-7-1-3-12-9(5-7)10-6-8(13)2-4-14-10/h1,3,5,10H,2,4,6H2,(H2,11,12)
InChIKeyJUTCBRYMSXDPTI-UHFFFAOYSA-N
XLogP1.08
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Pyridin-2-yl)morpholine
CID 19353403
Methyl 2-[(acetyloxy)(pyridin-2-yl)methyl]prop-2-enoate
CID 14737272
rac-(2R,4R)-2-(pyridin-2-yl)oxan-4-amine
CID 121552865
Pyridin-2-ylmethyl 6-oxoheptanoate
CID 101269333
2-(Oxan-2-yl)pyridine
CID 21411748
dimethyl 2-methyl-5-(2-pyridyl)-5H-oxazole-4,4-dicarboxylate
CID 395880
2-(2,2,2-Trifluoroethoxymethyl)pyridin-4-amine
CID 79250803
3-(5-Fluoro-2-pyridinyl)-3-(2-hydroxyethoxy)propanamide
CID 91180456
Methyl 2-[acetyloxy-(4-fluoro-2-pyridinyl)methyl]prop-2-enoate
CID 167525124
2-(1,2,2-Trifluoroethoxymethyl)pyridin-4-amine
CID 175432244
(2R)-2-pyridin-2-yl-2,3-dihydropyran-4-one
CID 11586370
Ethyl 2-(acetoxy(pyridin-2-yl)methyl)acrylate
CID 15812393

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-pyridinyl)oxan-4-one?
The IUPAC name of 2-(4-amino-2-pyridinyl)oxan-4-one (CID 172993047) is 2-(4-amino-2-pyridinyl)oxan-4-one.
What is the SMILES notation for 2-(4-amino-2-pyridinyl)oxan-4-one?
The canonical SMILES for 2-(4-amino-2-pyridinyl)oxan-4-one is Nc1ccnc(C2CC(=O)CCO2)c1.
What is the InChIKey of 2-(4-amino-2-pyridinyl)oxan-4-one?
The InChIKey is JUTCBRYMSXDPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-7-1-3-12-9(5-7)10-6-8(13)2-4-14-10/h1,3,5,10H,2,4,6H2,(H2,11,12).
What are the key properties of 2-(4-amino-2-pyridinyl)oxan-4-one?
2-(4-amino-2-pyridinyl)oxan-4-one has a molecular weight of 192.22 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-pyridinyl)oxan-4-one is sourced from PubChem (CID 172993047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).