3-[(cyclopropylamino)methyl]-6-ethyl-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

C15H23N3O — CID 82521680

IUPAC3-[(cyclopropylamino)methyl]-6-ethyl-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCCN1CCc2c(cc(CNC3CC3)c(=O)n2C)C1
InChIInChI=1S/C15H23N3O/c1-3-18-7-6-14-12(10-18)8-11(15(19)17(14)2)9-16-13-4-5-13/h8,13,16H,3-7,9-10H2,1-2H3
InChIKeyVPVKUULGWRRMSW-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.02
Rot. Bonds4

About 3-[(cyclopropylamino)methyl]-6-ethyl-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

3-[(cyclopropylamino)methyl]-6-ethyl-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 82521680) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-6-ethyl-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-6-ethyl-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID82521680
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-[(cyclopropylamino)methyl]-6-ethyl-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCCN1CCc2c(cc(CNC3CC3)c(=O)n2C)C1
InChIInChI=1S/C15H23N3O/c1-3-18-7-6-14-12(10-18)8-11(15(19)17(14)2)9-16-13-4-5-13/h8,13,16H,3-7,9-10H2,1-2H3
InChIKeyVPVKUULGWRRMSW-UHFFFAOYSA-N
XLogP1.02
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-6-ethyl-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-[(cyclopropylamino)methyl]-6-ethyl-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 82521680) is 3-[(cyclopropylamino)methyl]-6-ethyl-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-6-ethyl-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-6-ethyl-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is CCN1CCc2c(cc(CNC3CC3)c(=O)n2C)C1.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-6-ethyl-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is VPVKUULGWRRMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-18-7-6-14-12(10-18)8-11(15(19)17(14)2)9-16-13-4-5-13/h8,13,16H,3-7,9-10H2,1-2H3.
What are the key properties of 3-[(cyclopropylamino)methyl]-6-ethyl-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-[(cyclopropylamino)methyl]-6-ethyl-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 261.37 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-6-ethyl-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 82521680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).