1-methyl-5-(3-methylpentan-2-ylamino)-2,6-dihydropyridin-3-one

C12H22N2O — CID 59060199

IUPAC1-methyl-5-(3-methylpentan-2-ylamino)-2,6-dihydropyridin-3-one
SMILESCCC(C)C(C)NC1=CC(=O)CN(C)C1
InChIInChI=1S/C12H22N2O/c1-5-9(2)10(3)13-11-6-12(15)8-14(4)7-11/h6,9-10,13H,5,7-8H2,1-4H3
InChIKeyQDMAYFGKVJAYOP-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.41
Rot. Bonds4

About 1-methyl-5-(3-methylpentan-2-ylamino)-2,6-dihydropyridin-3-one

1-methyl-5-(3-methylpentan-2-ylamino)-2,6-dihydropyridin-3-one (PubChem CID 59060199) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-methyl-5-(3-methylpentan-2-ylamino)-2,6-dihydropyridin-3-one.

Molecular Properties

Compound Name1-methyl-5-(3-methylpentan-2-ylamino)-2,6-dihydropyridin-3-one
PubChem CID59060199
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-methyl-5-(3-methylpentan-2-ylamino)-2,6-dihydropyridin-3-one
SMILESCCC(C)C(C)NC1=CC(=O)CN(C)C1
InChIInChI=1S/C12H22N2O/c1-5-9(2)10(3)13-11-6-12(15)8-14(4)7-11/h6,9-10,13H,5,7-8H2,1-4H3
InChIKeyQDMAYFGKVJAYOP-UHFFFAOYSA-N
XLogP1.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(3-methylpentan-2-ylamino)-2,6-dihydropyridin-3-one?
The IUPAC name of 1-methyl-5-(3-methylpentan-2-ylamino)-2,6-dihydropyridin-3-one (CID 59060199) is 1-methyl-5-(3-methylpentan-2-ylamino)-2,6-dihydropyridin-3-one.
What is the SMILES notation for 1-methyl-5-(3-methylpentan-2-ylamino)-2,6-dihydropyridin-3-one?
The canonical SMILES for 1-methyl-5-(3-methylpentan-2-ylamino)-2,6-dihydropyridin-3-one is CCC(C)C(C)NC1=CC(=O)CN(C)C1.
What is the InChIKey of 1-methyl-5-(3-methylpentan-2-ylamino)-2,6-dihydropyridin-3-one?
The InChIKey is QDMAYFGKVJAYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-5-9(2)10(3)13-11-6-12(15)8-14(4)7-11/h6,9-10,13H,5,7-8H2,1-4H3.
What are the key properties of 1-methyl-5-(3-methylpentan-2-ylamino)-2,6-dihydropyridin-3-one?
1-methyl-5-(3-methylpentan-2-ylamino)-2,6-dihydropyridin-3-one has a molecular weight of 210.32 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(3-methylpentan-2-ylamino)-2,6-dihydropyridin-3-one is sourced from PubChem (CID 59060199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).