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

C17H27N3O — CID 82521615

IUPAC3-[(cyclopropylamino)methyl]-6-ethyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCCCn1c2c(cc(CNC3CC3)c1=O)CN(CC)CC2
InChIInChI=1S/C17H27N3O/c1-3-8-20-16-7-9-19(4-2)12-14(16)10-13(17(20)21)11-18-15-5-6-15/h10,15,18H,3-9,11-12H2,1-2H3
InChIKeyIOYPRDWVTITCBE-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.89
Rot. Bonds6

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

3-[(cyclopropylamino)methyl]-6-ethyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 82521615) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-6-ethyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-6-ethyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID82521615
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-[(cyclopropylamino)methyl]-6-ethyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCCCn1c2c(cc(CNC3CC3)c1=O)CN(CC)CC2
InChIInChI=1S/C17H27N3O/c1-3-8-20-16-7-9-19(4-2)12-14(16)10-13(17(20)21)11-18-15-5-6-15/h10,15,18H,3-9,11-12H2,1-2H3
InChIKeyIOYPRDWVTITCBE-UHFFFAOYSA-N
XLogP1.89
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(cyclopropylamino)methyl]-6-ethyl-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521680
3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521754
6-ethyl-1-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521684
6-ethyl-3-(ethylaminomethyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521683
6-ethyl-1-methyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521667
3-(aminomethyl)-6-methyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82189156
3-amino-6-ethyl-1-pentyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82466803
6-ethyl-3-[(2-methoxyethylamino)methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521675
3-[(cyclopentylamino)methyl]-6-methyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82522000
3-(aminomethyl)-1-cyclopentyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82189237
3-(2-aminopropan-2-yl)-1-butyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521529
3-(aminomethyl)-1-cyclohexyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82189243

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-6-ethyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-[(cyclopropylamino)methyl]-6-ethyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 82521615) is 3-[(cyclopropylamino)methyl]-6-ethyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-6-ethyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-6-ethyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is CCCn1c2c(cc(CNC3CC3)c1=O)CN(CC)CC2.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-6-ethyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is IOYPRDWVTITCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-8-20-16-7-9-19(4-2)12-14(16)10-13(17(20)21)11-18-15-5-6-15/h10,15,18H,3-9,11-12H2,1-2H3.
What are the key properties of 3-[(cyclopropylamino)methyl]-6-ethyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-[(cyclopropylamino)methyl]-6-ethyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 289.42 g/mol, XLogP of 1.89, 6 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-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 82521615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).