(2-amino-5-methyl-3-pyridinyl)-(3-aminooxolan-3-yl)methanone

C11H15N3O2 — CID 116579697

IUPAC(2-amino-5-methyl-3-pyridinyl)-(3-aminooxolan-3-yl)methanone
SMILESCc1cnc(N)c(C(=O)C2(N)CCOC2)c1
InChIInChI=1S/C11H15N3O2/c1-7-4-8(10(12)14-5-7)9(15)11(13)2-3-16-6-11/h4-5H,2-3,6,13H2,1H3,(H2,12,14)
InChIKeyCHPXFKGEXWEFEX-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.27
Rot. Bonds2

About (2-amino-5-methyl-3-pyridinyl)-(3-aminooxolan-3-yl)methanone

(2-amino-5-methyl-3-pyridinyl)-(3-aminooxolan-3-yl)methanone (PubChem CID 116579697) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is (2-amino-5-methyl-3-pyridinyl)-(3-aminooxolan-3-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-methyl-3-pyridinyl)-(3-aminooxolan-3-yl)methanone
PubChem CID116579697
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name(2-amino-5-methyl-3-pyridinyl)-(3-aminooxolan-3-yl)methanone
SMILESCc1cnc(N)c(C(=O)C2(N)CCOC2)c1
InChIInChI=1S/C11H15N3O2/c1-7-4-8(10(12)14-5-7)9(15)11(13)2-3-16-6-11/h4-5H,2-3,6,13H2,1H3,(H2,12,14)
InChIKeyCHPXFKGEXWEFEX-UHFFFAOYSA-N
XLogP0.27
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(aminomethyl)cyclohexyl]-(2-amino-5-methyl-3-pyridinyl)methanone
CID 116600748
(2-amino-5-methyl-3-pyridinyl)-morpholin-3-ylmethanone
CID 116576396
(2-amino-5-methyl-3-pyridinyl)-(2-ethylpyrrolidin-2-yl)methanone
CID 116608284
(4-aminooxan-4-yl)-(2-fluoro-5-methylphenyl)methanone
CID 116604587
(2-amino-5-methyl-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 116572944
(2-amino-5-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone
CID 107925462
(3-aminooxolan-3-yl)-(3-methoxypyrazin-2-yl)methanone
CID 116579533
(3-aminooxolan-3-yl)-isoquinolin-5-ylmethanone
CID 116579730
1-(3-aminooxolan-3-yl)ethanone
CID 59621130
1-(2-amino-5-methyl-3-pyridinyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456303
(2-amino-5-methyl-3-pyridinyl)-(cyclohexen-1-yl)methanone
CID 103450009
(4-aminooxan-4-yl)-(4-methoxy-2-methylphenyl)methanone
CID 116604665

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methyl-3-pyridinyl)-(3-aminooxolan-3-yl)methanone?
The IUPAC name of (2-amino-5-methyl-3-pyridinyl)-(3-aminooxolan-3-yl)methanone (CID 116579697) is (2-amino-5-methyl-3-pyridinyl)-(3-aminooxolan-3-yl)methanone.
What is the SMILES notation for (2-amino-5-methyl-3-pyridinyl)-(3-aminooxolan-3-yl)methanone?
The canonical SMILES for (2-amino-5-methyl-3-pyridinyl)-(3-aminooxolan-3-yl)methanone is Cc1cnc(N)c(C(=O)C2(N)CCOC2)c1.
What is the InChIKey of (2-amino-5-methyl-3-pyridinyl)-(3-aminooxolan-3-yl)methanone?
The InChIKey is CHPXFKGEXWEFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-4-8(10(12)14-5-7)9(15)11(13)2-3-16-6-11/h4-5H,2-3,6,13H2,1H3,(H2,12,14).
What are the key properties of (2-amino-5-methyl-3-pyridinyl)-(3-aminooxolan-3-yl)methanone?
(2-amino-5-methyl-3-pyridinyl)-(3-aminooxolan-3-yl)methanone has a molecular weight of 221.26 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methyl-3-pyridinyl)-(3-aminooxolan-3-yl)methanone is sourced from PubChem (CID 116579697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).