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

C12H24N2O — CID 157200093

IUPAC1-methyl-5-(3-methylpentan-2-ylamino)-2,6-dihydropyridin-3-one;molecular hydrogen
SMILESCCC(C)C(C)NC1=CC(=O)CN(C)C1.[H][H]
InChIInChI=1S/C12H22N2O.H2/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;1H
InChIKeyAQRVYQJXXHZLQO-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.65
Rot. Bonds4

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

1-methyl-5-(3-methylpentan-2-ylamino)-2,6-dihydropyridin-3-one;molecular hydrogen (PubChem CID 157200093) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-methyl-5-(3-methylpentan-2-ylamino)-2,6-dihydropyridin-3-one;molecular hydrogen.

Molecular Properties

Compound Name1-methyl-5-(3-methylpentan-2-ylamino)-2,6-dihydropyridin-3-one;molecular hydrogen
PubChem CID157200093
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-methyl-5-(3-methylpentan-2-ylamino)-2,6-dihydropyridin-3-one;molecular hydrogen
SMILESCCC(C)C(C)NC1=CC(=O)CN(C)C1.[H][H]
InChIInChI=1S/C12H22N2O.H2/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;1H
InChIKeyAQRVYQJXXHZLQO-UHFFFAOYSA-N
XLogP1.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-5-(3-methylpentan-2-ylamino)-2,6-dihydropyridin-3-one;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(3-methylpentan-2-ylamino)-2,6-dihydropyridin-3-one;molecular hydrogen?
The IUPAC name of 1-methyl-5-(3-methylpentan-2-ylamino)-2,6-dihydropyridin-3-one;molecular hydrogen (CID 157200093) is 1-methyl-5-(3-methylpentan-2-ylamino)-2,6-dihydropyridin-3-one;molecular hydrogen.
What is the SMILES notation for 1-methyl-5-(3-methylpentan-2-ylamino)-2,6-dihydropyridin-3-one;molecular hydrogen?
The canonical SMILES for 1-methyl-5-(3-methylpentan-2-ylamino)-2,6-dihydropyridin-3-one;molecular hydrogen is CCC(C)C(C)NC1=CC(=O)CN(C)C1.[H][H].
What is the InChIKey of 1-methyl-5-(3-methylpentan-2-ylamino)-2,6-dihydropyridin-3-one;molecular hydrogen?
The InChIKey is AQRVYQJXXHZLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.H2/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;1H.
What are the key properties of 1-methyl-5-(3-methylpentan-2-ylamino)-2,6-dihydropyridin-3-one;molecular hydrogen?
1-methyl-5-(3-methylpentan-2-ylamino)-2,6-dihydropyridin-3-one;molecular hydrogen has a molecular weight of 212.34 g/mol, XLogP of 1.65, 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;molecular hydrogen is sourced from PubChem (CID 157200093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).