3-{[(4,7-Dimethyl-1,3-benzoxazol-2-yl)methyl](methyl)amino}-5-ethyl-6-methyl-1,2-dihydropyridin-2-one

C19H23N3O2 — CID 454420

IUPAC3-[(4,7-dimethyl-1,3-benzoxazol-2-yl)methyl-methylamino]-5-ethyl-6-methyl-1H-pyridin-2-one
SMILESCCC1=C(NC(=O)C(=C1)N(C)CC2=NC3=C(C=CC(=C3O2)C)C)C
InChIInChI=1S/C19H23N3O2/c1-6-14-9-15(19(23)20-13(14)4)22(5)10-16-21-17-11(2)7-8-12(3)18(17)24-16/h7-9H,6,10H2,1-5H3,(H,20,23)
InChIKeyKCJMNLOXSMBDDR-UHFFFAOYSA-N
MW325.40 g/mol
LogP3.40
Rot. Bonds4

About 3-{[(4,7-Dimethyl-1,3-benzoxazol-2-yl)methyl](methyl)amino}-5-ethyl-6-methyl-1,2-dihydropyridin-2-one

3-{[(4,7-Dimethyl-1,3-benzoxazol-2-yl)methyl](methyl)amino}-5-ethyl-6-methyl-1,2-dihydropyridin-2-one (PubChem CID 454420) has the molecular formula C19H23N3O2 and a molecular weight of 325.40 g/mol. Its IUPAC name is 3-[(4,7-dimethyl-1,3-benzoxazol-2-yl)methyl-methylamino]-5-ethyl-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-{[(4,7-Dimethyl-1,3-benzoxazol-2-yl)methyl](methyl)amino}-5-ethyl-6-methyl-1,2-dihydropyridin-2-one
PubChem CID454420
Molecular FormulaC19H23N3O2
Molecular Weight325.40 g/mol
Exact Mass325.18
IUPAC Name3-[(4,7-dimethyl-1,3-benzoxazol-2-yl)methyl-methylamino]-5-ethyl-6-methyl-1H-pyridin-2-one
SMILESCCC1=C(NC(=O)C(=C1)N(C)CC2=NC3=C(C=CC(=C3O2)C)C)C
InChIInChI=1S/C19H23N3O2/c1-6-14-9-15(19(23)20-13(14)4)22(5)10-16-21-17-11(2)7-8-12(3)18(17)24-16/h7-9H,6,10H2,1-5H3,(H,20,23)
InChIKeyKCJMNLOXSMBDDR-UHFFFAOYSA-N
XLogP3.40
TPSA58.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity569

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-{[(4,7-Dimethyl-1,3-benzoxazol-2-yl)methyl](methyl)amino}-5-ethyl-6-methyl-1,2-dihydropyridin-2-one?
The IUPAC name of 3-{[(4,7-Dimethyl-1,3-benzoxazol-2-yl)methyl](methyl)amino}-5-ethyl-6-methyl-1,2-dihydropyridin-2-one (CID 454420) is 3-[(4,7-dimethyl-1,3-benzoxazol-2-yl)methyl-methylamino]-5-ethyl-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-{[(4,7-Dimethyl-1,3-benzoxazol-2-yl)methyl](methyl)amino}-5-ethyl-6-methyl-1,2-dihydropyridin-2-one?
The canonical SMILES for 3-{[(4,7-Dimethyl-1,3-benzoxazol-2-yl)methyl](methyl)amino}-5-ethyl-6-methyl-1,2-dihydropyridin-2-one is CCC1=C(NC(=O)C(=C1)N(C)CC2=NC3=C(C=CC(=C3O2)C)C)C.
What is the InChIKey of 3-{[(4,7-Dimethyl-1,3-benzoxazol-2-yl)methyl](methyl)amino}-5-ethyl-6-methyl-1,2-dihydropyridin-2-one?
The InChIKey is KCJMNLOXSMBDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-6-14-9-15(19(23)20-13(14)4)22(5)10-16-21-17-11(2)7-8-12(3)18(17)24-16/h7-9H,6,10H2,1-5H3,(H,20,23).
What are the key properties of 3-{[(4,7-Dimethyl-1,3-benzoxazol-2-yl)methyl](methyl)amino}-5-ethyl-6-methyl-1,2-dihydropyridin-2-one?
3-{[(4,7-Dimethyl-1,3-benzoxazol-2-yl)methyl](methyl)amino}-5-ethyl-6-methyl-1,2-dihydropyridin-2-one has a molecular weight of 325.40 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-{[(4,7-Dimethyl-1,3-benzoxazol-2-yl)methyl](methyl)amino}-5-ethyl-6-methyl-1,2-dihydropyridin-2-one is sourced from PubChem (CID 454420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).