1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one

C15H16N2O — CID 90202994

IUPAC1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one
SMILESCN1CCCc2c1cc(-c1ccccc1)[nH]c2=O
InChIInChI=1S/C15H16N2O/c1-17-9-5-8-12-14(17)10-13(16-15(12)18)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H,16,18)
InChIKeyDTMHAFMUJHYVGK-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.42
Rot. Bonds1

About 1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one

1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one (PubChem CID 90202994) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one
PubChem CID90202994
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one
SMILESCN1CCCc2c1cc(-c1ccccc1)[nH]c2=O
InChIInChI=1S/C15H16N2O/c1-17-9-5-8-12-14(17)10-13(16-15(12)18)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H,16,18)
InChIKeyDTMHAFMUJHYVGK-UHFFFAOYSA-N
XLogP2.42
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Benzylamino)cyclohex-2-en-1-one
CID 319575
3-Benzylamino-5,5-dimethyl-cyclohex-2-enone
CID 288323
4-Methyl-2-oxo-6-phenyl-1,2-dihydro-3-pyridinecarbonitrile
CID 2814576
Benzyldihydronicotinamide
CID 95276
N-benzyl-1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide
CID 23588031
n3-(Cyclohexyl)-4-oxo-1-pentyl-6-phenyl-1,4-dihydropyridine-3-carboxamide
CID 49820013
n3-(Cyclohexyl)-1-pentyl-6-phenyl-4-thioxo-1,4-dihydropyridine-3-carboxamide
CID 49840908
n-(4-Oxo-1-pentyl-6-phenyl-1,4-dihydropyridin-3-yl)cyclohexanecarboxamide
CID 49840911
N-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-2-oxo-1-(1-phenylethyl)-1,2-dihydropyridine-4-carboxamide
CID 71571201
7-[4-(Trifluoromethyl)phenyl]-1-methyl-1,2,3,4-tetrahydro-1,6-naphthyridine-5(6H)-one
CID 76280992
7-(4-Chlorophenyl)-1-methyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one
CID 76280993
7-(4-Bromophenyl)-1-methyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one
CID 76280996

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one?
The IUPAC name of 1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one (CID 90202994) is 1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one?
The canonical SMILES for 1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one is CN1CCCc2c1cc(-c1ccccc1)[nH]c2=O.
What is the InChIKey of 1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one?
The InChIKey is DTMHAFMUJHYVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-17-9-5-8-12-14(17)10-13(16-15(12)18)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H,16,18).
What are the key properties of 1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one?
1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one has a molecular weight of 240.31 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 90202994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).