2-(2-amino-4-pyridinyl)-1-(2-methyloxan-2-yl)ethanone

C13H18N2O2 — CID 80684491

IUPAC2-(2-amino-4-pyridinyl)-1-(2-methyloxan-2-yl)ethanone
SMILESCC1(C(=O)Cc2ccnc(N)c2)CCCCO1
InChIInChI=1S/C13H18N2O2/c1-13(5-2-3-7-17-13)11(16)8-10-4-6-15-12(14)9-10/h4,6,9H,2-3,5,7-8H2,1H3,(H2,14,15)
InChIKeyFFPUILSUPPUSAE-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.73
Rot. Bonds3

About 2-(2-amino-4-pyridinyl)-1-(2-methyloxan-2-yl)ethanone

2-(2-amino-4-pyridinyl)-1-(2-methyloxan-2-yl)ethanone (PubChem CID 80684491) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)-1-(2-methyloxan-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)-1-(2-methyloxan-2-yl)ethanone
PubChem CID80684491
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-(2-amino-4-pyridinyl)-1-(2-methyloxan-2-yl)ethanone
SMILESCC1(C(=O)Cc2ccnc(N)c2)CCCCO1
InChIInChI=1S/C13H18N2O2/c1-13(5-2-3-7-17-13)11(16)8-10-4-6-15-12(14)9-10/h4,6,9H,2-3,5,7-8H2,1H3,(H2,14,15)
InChIKeyFFPUILSUPPUSAE-UHFFFAOYSA-N
XLogP1.73
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-pyridinyl)-1-(2-methyloxan-2-yl)ethanone?
The IUPAC name of 2-(2-amino-4-pyridinyl)-1-(2-methyloxan-2-yl)ethanone (CID 80684491) is 2-(2-amino-4-pyridinyl)-1-(2-methyloxan-2-yl)ethanone.
What is the SMILES notation for 2-(2-amino-4-pyridinyl)-1-(2-methyloxan-2-yl)ethanone?
The canonical SMILES for 2-(2-amino-4-pyridinyl)-1-(2-methyloxan-2-yl)ethanone is CC1(C(=O)Cc2ccnc(N)c2)CCCCO1.
What is the InChIKey of 2-(2-amino-4-pyridinyl)-1-(2-methyloxan-2-yl)ethanone?
The InChIKey is FFPUILSUPPUSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(5-2-3-7-17-13)11(16)8-10-4-6-15-12(14)9-10/h4,6,9H,2-3,5,7-8H2,1H3,(H2,14,15).
What are the key properties of 2-(2-amino-4-pyridinyl)-1-(2-methyloxan-2-yl)ethanone?
2-(2-amino-4-pyridinyl)-1-(2-methyloxan-2-yl)ethanone has a molecular weight of 234.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-pyridinyl)-1-(2-methyloxan-2-yl)ethanone is sourced from PubChem (CID 80684491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).