N'-(1-butyl-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl)-1-methylcyclopropane-1-carboximidamide

C17H24N4O — CID 146653745

IUPACN'-(1-butyl-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl)-1-methylcyclopropane-1-carboximidamide
SMILESCCCCN1C(=O)C(/N=C(\N)C2(C)CC2)Cc2ncccc21
InChIInChI=1S/C17H24N4O/c1-3-4-10-21-14-6-5-9-19-12(14)11-13(15(21)22)20-16(18)17(2)7-8-17/h5-6,9,13H,3-4,7-8,10-11H2,1-2H3,(H2,18,20)
InChIKeyQWMRGOXJLLGKOW-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.30
Rot. Bonds5

About N'-(1-butyl-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl)-1-methylcyclopropane-1-carboximidamide

N'-(1-butyl-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl)-1-methylcyclopropane-1-carboximidamide (PubChem CID 146653745) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N'-(1-butyl-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl)-1-methylcyclopropane-1-carboximidamide.

Molecular Properties

Compound NameN'-(1-butyl-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl)-1-methylcyclopropane-1-carboximidamide
PubChem CID146653745
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN'-(1-butyl-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl)-1-methylcyclopropane-1-carboximidamide
SMILESCCCCN1C(=O)C(/N=C(\N)C2(C)CC2)Cc2ncccc21
InChIInChI=1S/C17H24N4O/c1-3-4-10-21-14-6-5-9-19-12(14)11-13(15(21)22)20-16(18)17(2)7-8-17/h5-6,9,13H,3-4,7-8,10-11H2,1-2H3,(H2,18,20)
InChIKeyQWMRGOXJLLGKOW-UHFFFAOYSA-N
XLogP2.30
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(1-butyl-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl)-1-methylcyclopropane-1-carboximidamide?
The IUPAC name of N'-(1-butyl-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl)-1-methylcyclopropane-1-carboximidamide (CID 146653745) is N'-(1-butyl-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl)-1-methylcyclopropane-1-carboximidamide.
What is the SMILES notation for N'-(1-butyl-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl)-1-methylcyclopropane-1-carboximidamide?
The canonical SMILES for N'-(1-butyl-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl)-1-methylcyclopropane-1-carboximidamide is CCCCN1C(=O)C(/N=C(\N)C2(C)CC2)Cc2ncccc21.
What is the InChIKey of N'-(1-butyl-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl)-1-methylcyclopropane-1-carboximidamide?
The InChIKey is QWMRGOXJLLGKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-3-4-10-21-14-6-5-9-19-12(14)11-13(15(21)22)20-16(18)17(2)7-8-17/h5-6,9,13H,3-4,7-8,10-11H2,1-2H3,(H2,18,20).
What are the key properties of N'-(1-butyl-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl)-1-methylcyclopropane-1-carboximidamide?
N'-(1-butyl-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl)-1-methylcyclopropane-1-carboximidamide has a molecular weight of 300.41 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-butyl-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl)-1-methylcyclopropane-1-carboximidamide is sourced from PubChem (CID 146653745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).