7,8-dihydro-5H-1,6-naphthyridin-6-yl(piperidin-2-yl)methanone

C14H19N3O — CID 60861566

IUPAC7,8-dihydro-5H-1,6-naphthyridin-6-yl(piperidin-2-yl)methanone
SMILESO=C(C1CCCCN1)N1CCc2ncccc2C1
InChIInChI=1S/C14H19N3O/c18-14(13-5-1-2-7-16-13)17-9-6-12-11(10-17)4-3-8-15-12/h3-4,8,13,16H,1-2,5-7,9-10H2
InChIKeyMVNSVGWVEYXBEM-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.11
Rot. Bonds1

About 7,8-dihydro-5H-1,6-naphthyridin-6-yl(piperidin-2-yl)methanone

7,8-dihydro-5H-1,6-naphthyridin-6-yl(piperidin-2-yl)methanone (PubChem CID 60861566) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 7,8-dihydro-5H-1,6-naphthyridin-6-yl(piperidin-2-yl)methanone.

Molecular Properties

Compound Name7,8-dihydro-5H-1,6-naphthyridin-6-yl(piperidin-2-yl)methanone
PubChem CID60861566
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name7,8-dihydro-5H-1,6-naphthyridin-6-yl(piperidin-2-yl)methanone
SMILESO=C(C1CCCCN1)N1CCc2ncccc2C1
InChIInChI=1S/C14H19N3O/c18-14(13-5-1-2-7-16-13)17-9-6-12-11(10-17)4-3-8-15-12/h3-4,8,13,16H,1-2,5-7,9-10H2
InChIKeyMVNSVGWVEYXBEM-UHFFFAOYSA-N
XLogP1.11
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
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(piperidin-2-yl)methanone?
The IUPAC name of 7,8-dihydro-5H-1,6-naphthyridin-6-yl(piperidin-2-yl)methanone (CID 60861566) is 7,8-dihydro-5H-1,6-naphthyridin-6-yl(piperidin-2-yl)methanone.
What is the SMILES notation for 7,8-dihydro-5H-1,6-naphthyridin-6-yl(piperidin-2-yl)methanone?
The canonical SMILES for 7,8-dihydro-5H-1,6-naphthyridin-6-yl(piperidin-2-yl)methanone is O=C(C1CCCCN1)N1CCc2ncccc2C1.
What is the InChIKey of 7,8-dihydro-5H-1,6-naphthyridin-6-yl(piperidin-2-yl)methanone?
The InChIKey is MVNSVGWVEYXBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c18-14(13-5-1-2-7-16-13)17-9-6-12-11(10-17)4-3-8-15-12/h3-4,8,13,16H,1-2,5-7,9-10H2.
What are the key properties of 7,8-dihydro-5H-1,6-naphthyridin-6-yl(piperidin-2-yl)methanone?
7,8-dihydro-5H-1,6-naphthyridin-6-yl(piperidin-2-yl)methanone has a molecular weight of 245.33 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 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(piperidin-2-yl)methanone is sourced from PubChem (CID 60861566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).