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

C17H27N3O2 — CID 82521754

IUPAC3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCOCCCn1c2c(cc(CNC3CC3)c1=O)CN(C)CC2
InChIInChI=1S/C17H27N3O2/c1-19-8-6-16-14(12-19)10-13(11-18-15-4-5-15)17(21)20(16)7-3-9-22-2/h10,15,18H,3-9,11-12H2,1-2H3
InChIKeyXHDLLTCMXHOUJC-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.12
Rot. Bonds7

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

3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 82521754) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID82521754
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCOCCCn1c2c(cc(CNC3CC3)c1=O)CN(C)CC2
InChIInChI=1S/C17H27N3O2/c1-19-8-6-16-14(12-19)10-13(11-18-15-4-5-15)17(21)20(16)7-3-9-22-2/h10,15,18H,3-9,11-12H2,1-2H3
InChIKeyXHDLLTCMXHOUJC-UHFFFAOYSA-N
XLogP1.12
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(cyclopropylamino)methyl]-6-ethyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521615
3-[(cyclopentylamino)methyl]-6-methyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82522000
3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methylpyridin-2-one
CID 82524754
3-[(cyclopropylamino)methyl]-6-ethyl-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521680
3-(chloromethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522757
1-(3-methoxypropyl)-3-[(2-methylpropylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one
CID 82522193
1-cyclopropyl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521975
3-[(cyclopropylamino)methyl]-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 82524810
3-(ethylaminomethyl)-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82522108
3-[(cyclopropylamino)methyl]-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522730
6-ethyl-3-[(2-methoxyethylamino)methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521675
N-[[3-(3-methoxypropyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65172064

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 82521754) is 3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is COCCCn1c2c(cc(CNC3CC3)c1=O)CN(C)CC2.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is XHDLLTCMXHOUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-19-8-6-16-14(12-19)10-13(11-18-15-4-5-15)17(21)20(16)7-3-9-22-2/h10,15,18H,3-9,11-12H2,1-2H3.
What are the key properties of 3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 305.42 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 82521754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).