6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide

C13H20N4O — CID 82522028

IUPAC6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(n(CCC)c1=O)CCN(C)C2
InChIInChI=1S/C13H20N4O/c1-3-5-17-11-4-6-16(2)8-9(11)7-10(12(14)15)13(17)18/h7H,3-6,8H2,1-2H3,(H3,14,15)
InChIKeyBIAGLVAVYZJWCY-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.53
Rot. Bonds3

About 6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide

6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide (PubChem CID 82522028) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide.

Molecular Properties

Compound Name6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide
PubChem CID82522028
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(n(CCC)c1=O)CCN(C)C2
InChIInChI=1S/C13H20N4O/c1-3-5-17-11-4-6-16(2)8-9(11)7-10(12(14)15)13(17)18/h7H,3-6,8H2,1-2H3,(H3,14,15)
InChIKeyBIAGLVAVYZJWCY-UHFFFAOYSA-N
XLogP0.53
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
CID 82522043
1-butan-2-yl-6-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide
CID 82521884
3-(aminomethyl)-6-methyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82189156
1-(2-methoxyethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 82522799
1-ethyl-6-methyl-3-(piperazine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82522057
2-oxo-6-propan-2-yl-1-propylpyridine-3-carboximidamide
CID 82524435
6-methyl-1-pentyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521858
3-acetyl-1-propyl-5,6,7,8-tetrahydroquinolin-2-one
CID 82522519
3-(1-aminoethyl)-6-methyl-1-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521829
1-ethyl-6-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82522073
3-(ethylaminomethyl)-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82522108
6-ethyl-1-(2-methoxyethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbohydrazide
CID 82521395

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide?
The IUPAC name of 6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide (CID 82522028) is 6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide.
What is the SMILES notation for 6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide?
The canonical SMILES for 6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide is [H]/N=C(\N)c1cc2c(n(CCC)c1=O)CCN(C)C2.
What is the InChIKey of 6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide?
The InChIKey is BIAGLVAVYZJWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-3-5-17-11-4-6-16(2)8-9(11)7-10(12(14)15)13(17)18/h7H,3-6,8H2,1-2H3,(H3,14,15).
What are the key properties of 6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide?
6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide has a molecular weight of 248.33 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide is sourced from PubChem (CID 82522028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).