3-(3-acetylphenyl)-1-methyl-6-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

C23H29N3O2 — CID 26142170

IUPAC3-(3-acetylphenyl)-1-methyl-6-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCC(=O)c1cccc(-c2cc3c(n(C)c2=O)CCN(C2CCN(C)CC2)C3)c1
InChIInChI=1S/C23H29N3O2/c1-16(27)17-5-4-6-18(13-17)21-14-19-15-26(20-7-10-24(2)11-8-20)12-9-22(19)25(3)23(21)28/h4-6,13-14,20H,7-12,15H2,1-3H3
InChIKeyPNAYJDDDOVRXOK-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.71
Rot. Bonds3

About 3-(3-acetylphenyl)-1-methyl-6-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

3-(3-acetylphenyl)-1-methyl-6-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 26142170) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 3-(3-acetylphenyl)-1-methyl-6-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(3-acetylphenyl)-1-methyl-6-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID26142170
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name3-(3-acetylphenyl)-1-methyl-6-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCC(=O)c1cccc(-c2cc3c(n(C)c2=O)CCN(C2CCN(C)CC2)C3)c1
InChIInChI=1S/C23H29N3O2/c1-16(27)17-5-4-6-18(13-17)21-14-19-15-26(20-7-10-24(2)11-8-20)12-9-22(19)25(3)23(21)28/h4-6,13-14,20H,7-12,15H2,1-3H3
InChIKeyPNAYJDDDOVRXOK-UHFFFAOYSA-N
XLogP2.71
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylphenyl)-1-methyl-6-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-(3-acetylphenyl)-1-methyl-6-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 26142170) is 3-(3-acetylphenyl)-1-methyl-6-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(3-acetylphenyl)-1-methyl-6-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(3-acetylphenyl)-1-methyl-6-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is CC(=O)c1cccc(-c2cc3c(n(C)c2=O)CCN(C2CCN(C)CC2)C3)c1.
What is the InChIKey of 3-(3-acetylphenyl)-1-methyl-6-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is PNAYJDDDOVRXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-16(27)17-5-4-6-18(13-17)21-14-19-15-26(20-7-10-24(2)11-8-20)12-9-22(19)25(3)23(21)28/h4-6,13-14,20H,7-12,15H2,1-3H3.
What are the key properties of 3-(3-acetylphenyl)-1-methyl-6-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-(3-acetylphenyl)-1-methyl-6-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 379.50 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylphenyl)-1-methyl-6-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 26142170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).