7,8-dihydro-5H-1,6-naphthyridin-6-yl-(4-methyl-3-pyridin-2-ylphenyl)methanone

C21H19N3O — CID 70840492

IUPAC7,8-dihydro-5H-1,6-naphthyridin-6-yl-(4-methyl-3-pyridin-2-ylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCc3ncccc3C2)cc1-c1ccccn1
InChIInChI=1S/C21H19N3O/c1-15-7-8-16(13-18(15)20-6-2-3-10-23-20)21(25)24-12-9-19-17(14-24)5-4-11-22-19/h2-8,10-11,13H,9,12,14H2,1H3
InChIKeyNEDCBXJIGGCDST-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.65
Rot. Bonds2

About 7,8-dihydro-5H-1,6-naphthyridin-6-yl-(4-methyl-3-pyridin-2-ylphenyl)methanone

7,8-dihydro-5H-1,6-naphthyridin-6-yl-(4-methyl-3-pyridin-2-ylphenyl)methanone (PubChem CID 70840492) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 7,8-dihydro-5H-1,6-naphthyridin-6-yl-(4-methyl-3-pyridin-2-ylphenyl)methanone.

Molecular Properties

Compound Name7,8-dihydro-5H-1,6-naphthyridin-6-yl-(4-methyl-3-pyridin-2-ylphenyl)methanone
PubChem CID70840492
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name7,8-dihydro-5H-1,6-naphthyridin-6-yl-(4-methyl-3-pyridin-2-ylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCc3ncccc3C2)cc1-c1ccccn1
InChIInChI=1S/C21H19N3O/c1-15-7-8-16(13-18(15)20-6-2-3-10-23-20)21(25)24-12-9-19-17(14-24)5-4-11-22-19/h2-8,10-11,13H,9,12,14H2,1H3
InChIKeyNEDCBXJIGGCDST-UHFFFAOYSA-N
XLogP3.65
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-5H-1,6-naphthyridin-6-yl-(4-methyl-3-pyridin-2-ylphenyl)methanone?
The IUPAC name of 7,8-dihydro-5H-1,6-naphthyridin-6-yl-(4-methyl-3-pyridin-2-ylphenyl)methanone (CID 70840492) is 7,8-dihydro-5H-1,6-naphthyridin-6-yl-(4-methyl-3-pyridin-2-ylphenyl)methanone.
What is the SMILES notation for 7,8-dihydro-5H-1,6-naphthyridin-6-yl-(4-methyl-3-pyridin-2-ylphenyl)methanone?
The canonical SMILES for 7,8-dihydro-5H-1,6-naphthyridin-6-yl-(4-methyl-3-pyridin-2-ylphenyl)methanone is Cc1ccc(C(=O)N2CCc3ncccc3C2)cc1-c1ccccn1.
What is the InChIKey of 7,8-dihydro-5H-1,6-naphthyridin-6-yl-(4-methyl-3-pyridin-2-ylphenyl)methanone?
The InChIKey is NEDCBXJIGGCDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-15-7-8-16(13-18(15)20-6-2-3-10-23-20)21(25)24-12-9-19-17(14-24)5-4-11-22-19/h2-8,10-11,13H,9,12,14H2,1H3.
What are the key properties of 7,8-dihydro-5H-1,6-naphthyridin-6-yl-(4-methyl-3-pyridin-2-ylphenyl)methanone?
7,8-dihydro-5H-1,6-naphthyridin-6-yl-(4-methyl-3-pyridin-2-ylphenyl)methanone has a molecular weight of 329.40 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-5H-1,6-naphthyridin-6-yl-(4-methyl-3-pyridin-2-ylphenyl)methanone is sourced from PubChem (CID 70840492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).