1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one

C24H29FN4O — CID 70660269

IUPAC1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one
SMILESCc1cnc2ccc(=O)n(CCN3CCC(NCc4ccc(C)c(F)c4)CC3)c2c1
InChIInChI=1S/C24H29FN4O/c1-17-13-23-22(27-15-17)5-6-24(30)29(23)12-11-28-9-7-20(8-10-28)26-16-19-4-3-18(2)21(25)14-19/h3-6,13-15,20,26H,7-12,16H2,1-2H3
InChIKeySHDUEBQKBLESMK-UHFFFAOYSA-N
MW408.52 g/mol
LogP3.41
Rot. Bonds6

About 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one

1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one (PubChem CID 70660269) has the molecular formula C24H29FN4O and a molecular weight of 408.52 g/mol. Its IUPAC name is 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one
PubChem CID70660269
Molecular FormulaC24H29FN4O
Molecular Weight408.52 g/mol
Exact Mass408.23
IUPAC Name1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one
SMILESCc1cnc2ccc(=O)n(CCN3CCC(NCc4ccc(C)c(F)c4)CC3)c2c1
InChIInChI=1S/C24H29FN4O/c1-17-13-23-22(27-15-17)5-6-24(30)29(23)12-11-28-9-7-20(8-10-28)26-16-19-4-3-18(2)21(25)14-19/h3-6,13-15,20,26H,7-12,16H2,1-2H3
InChIKeySHDUEBQKBLESMK-UHFFFAOYSA-N
XLogP3.41
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one?
The IUPAC name of 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one (CID 70660269) is 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one.
What is the SMILES notation for 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one?
The canonical SMILES for 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one is Cc1cnc2ccc(=O)n(CCN3CCC(NCc4ccc(C)c(F)c4)CC3)c2c1.
What is the InChIKey of 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one?
The InChIKey is SHDUEBQKBLESMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O/c1-17-13-23-22(27-15-17)5-6-24(30)29(23)12-11-28-9-7-20(8-10-28)26-16-19-4-3-18(2)21(25)14-19/h3-6,13-15,20,26H,7-12,16H2,1-2H3.
What are the key properties of 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one?
1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one has a molecular weight of 408.52 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one is sourced from PubChem (CID 70660269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).