3-(2-aminopropan-2-yl)-1-butyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

C17H29N3O — CID 82521529

IUPAC3-(2-aminopropan-2-yl)-1-butyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCCCCn1c2c(cc(C(C)(C)N)c1=O)CN(CC)CC2
InChIInChI=1S/C17H29N3O/c1-5-7-9-20-15-8-10-19(6-2)12-13(15)11-14(16(20)21)17(3,4)18/h11H,5-10,12,18H2,1-4H3
InChIKeyZFGYYXUQZVAUIA-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.22
Rot. Bonds5

About 3-(2-aminopropan-2-yl)-1-butyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

3-(2-aminopropan-2-yl)-1-butyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 82521529) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-(2-aminopropan-2-yl)-1-butyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(2-aminopropan-2-yl)-1-butyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID82521529
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name3-(2-aminopropan-2-yl)-1-butyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCCCCn1c2c(cc(C(C)(C)N)c1=O)CN(CC)CC2
InChIInChI=1S/C17H29N3O/c1-5-7-9-20-15-8-10-19(6-2)12-13(15)11-14(16(20)21)17(3,4)18/h11H,5-10,12,18H2,1-4H3
InChIKeyZFGYYXUQZVAUIA-UHFFFAOYSA-N
XLogP2.22
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-aminopropan-2-yl)-1-butyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one with MolForge

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Related Compounds

3-amino-6-ethyl-1-pentyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82466803
3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522751
3-(1-aminoethyl)-1,6-diethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521626
3-[(cyclopropylamino)methyl]-6-ethyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521615
1-cyclopropyl-6-ethyl-3-(2-hydroxypropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521552
6-ethyl-1-(2-methoxyethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbohydrazide
CID 82521395
2-(6-ethyl-2-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)propan-2-amine
CID 82452395
1-butan-2-yl-6-ethyl-3-(2-hydroxypropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521486
6-ethyl-1-methyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521667
6-ethyl-1-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde
CID 82521685
6-methyl-1-pentyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521858
6-ethyl-1-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521684

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropan-2-yl)-1-butyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-(2-aminopropan-2-yl)-1-butyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 82521529) is 3-(2-aminopropan-2-yl)-1-butyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(2-aminopropan-2-yl)-1-butyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(2-aminopropan-2-yl)-1-butyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is CCCCn1c2c(cc(C(C)(C)N)c1=O)CN(CC)CC2.
What is the InChIKey of 3-(2-aminopropan-2-yl)-1-butyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is ZFGYYXUQZVAUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-7-9-20-15-8-10-19(6-2)12-13(15)11-14(16(20)21)17(3,4)18/h11H,5-10,12,18H2,1-4H3.
What are the key properties of 3-(2-aminopropan-2-yl)-1-butyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-(2-aminopropan-2-yl)-1-butyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 291.44 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropan-2-yl)-1-butyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 82521529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).