5-(3-methylpentan-2-ylamino)-2,6-dihydro-1H-pyridin-3-one

C11H20N2O — CID 59060206

IUPAC5-(3-methylpentan-2-ylamino)-2,6-dihydro-1H-pyridin-3-one
SMILESCCC(C)C(C)NC1=CC(=O)CNC1
InChIInChI=1S/C11H20N2O/c1-4-8(2)9(3)13-10-5-11(14)7-12-6-10/h5,8-9,12-13H,4,6-7H2,1-3H3
InChIKeyJXPBUHRYIXOVJC-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.07
Rot. Bonds4

About 5-(3-methylpentan-2-ylamino)-2,6-dihydro-1H-pyridin-3-one

5-(3-methylpentan-2-ylamino)-2,6-dihydro-1H-pyridin-3-one (PubChem CID 59060206) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-(3-methylpentan-2-ylamino)-2,6-dihydro-1H-pyridin-3-one.

Molecular Properties

Compound Name5-(3-methylpentan-2-ylamino)-2,6-dihydro-1H-pyridin-3-one
PubChem CID59060206
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name5-(3-methylpentan-2-ylamino)-2,6-dihydro-1H-pyridin-3-one
SMILESCCC(C)C(C)NC1=CC(=O)CNC1
InChIInChI=1S/C11H20N2O/c1-4-8(2)9(3)13-10-5-11(14)7-12-6-10/h5,8-9,12-13H,4,6-7H2,1-3H3
InChIKeyJXPBUHRYIXOVJC-UHFFFAOYSA-N
XLogP1.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpentan-2-ylamino)-2,6-dihydro-1H-pyridin-3-one?
The IUPAC name of 5-(3-methylpentan-2-ylamino)-2,6-dihydro-1H-pyridin-3-one (CID 59060206) is 5-(3-methylpentan-2-ylamino)-2,6-dihydro-1H-pyridin-3-one.
What is the SMILES notation for 5-(3-methylpentan-2-ylamino)-2,6-dihydro-1H-pyridin-3-one?
The canonical SMILES for 5-(3-methylpentan-2-ylamino)-2,6-dihydro-1H-pyridin-3-one is CCC(C)C(C)NC1=CC(=O)CNC1.
What is the InChIKey of 5-(3-methylpentan-2-ylamino)-2,6-dihydro-1H-pyridin-3-one?
The InChIKey is JXPBUHRYIXOVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-8(2)9(3)13-10-5-11(14)7-12-6-10/h5,8-9,12-13H,4,6-7H2,1-3H3.
What are the key properties of 5-(3-methylpentan-2-ylamino)-2,6-dihydro-1H-pyridin-3-one?
5-(3-methylpentan-2-ylamino)-2,6-dihydro-1H-pyridin-3-one has a molecular weight of 196.29 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpentan-2-ylamino)-2,6-dihydro-1H-pyridin-3-one is sourced from PubChem (CID 59060206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).