4-(3-aminopropylamino)-1-methylpyridin-2-one

C9H15N3O — CID 130624115

IUPAC4-(3-aminopropylamino)-1-methylpyridin-2-one
SMILESCn1ccc(NCCCN)cc1=O
InChIInChI=1S/C9H15N3O/c1-12-6-3-8(7-9(12)13)11-5-2-4-10/h3,6-7,11H,2,4-5,10H2,1H3
InChIKeyBFFIVGZSIPRRJB-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.15
Rot. Bonds4

About 4-(3-aminopropylamino)-1-methylpyridin-2-one

4-(3-aminopropylamino)-1-methylpyridin-2-one (PubChem CID 130624115) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-(3-aminopropylamino)-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-(3-aminopropylamino)-1-methylpyridin-2-one
PubChem CID130624115
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-(3-aminopropylamino)-1-methylpyridin-2-one
SMILESCn1ccc(NCCCN)cc1=O
InChIInChI=1S/C9H15N3O/c1-12-6-3-8(7-9(12)13)11-5-2-4-10/h3,6-7,11H,2,4-5,10H2,1H3
InChIKeyBFFIVGZSIPRRJB-UHFFFAOYSA-N
XLogP0.15
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[2-(methylamino)ethylamino]pyridin-2-one
CID 131075374
4-hydrazinyl-1-methylpyridin-2-one
CID 130656360
4-[(1,3-dichloro-2-methylpropan-2-yl)amino]-1-methylpyridin-2-one
CID 131213852
4-(2,2-dimethylhydrazinyl)-1-methylpyridin-2-one
CID 130631398
N-(5-amino-2,2-dimethylpentyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 106140544
7-(butylamino)-2-methylisoquinolin-1-one
CID 166187963
N'-(3,4-dimethylphenyl)butane-1,4-diamine
CID 94253623
6-(4-aminobutylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 115200987
6-(3-aminopropylamino)-1,2-dihydroindazol-3-one
CID 58936020
N'-(3,4-diethoxyphenyl)propane-1,3-diamine
CID 62505868
N'-(4-fluorophenyl)propane-1,3-diamine
CID 28766537
N'-(3-fluoro-4-methylphenyl)pentane-1,5-diamine
CID 59230672

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropylamino)-1-methylpyridin-2-one?
The IUPAC name of 4-(3-aminopropylamino)-1-methylpyridin-2-one (CID 130624115) is 4-(3-aminopropylamino)-1-methylpyridin-2-one.
What is the SMILES notation for 4-(3-aminopropylamino)-1-methylpyridin-2-one?
The canonical SMILES for 4-(3-aminopropylamino)-1-methylpyridin-2-one is Cn1ccc(NCCCN)cc1=O.
What is the InChIKey of 4-(3-aminopropylamino)-1-methylpyridin-2-one?
The InChIKey is BFFIVGZSIPRRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-12-6-3-8(7-9(12)13)11-5-2-4-10/h3,6-7,11H,2,4-5,10H2,1H3.
What are the key properties of 4-(3-aminopropylamino)-1-methylpyridin-2-one?
4-(3-aminopropylamino)-1-methylpyridin-2-one has a molecular weight of 181.24 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropylamino)-1-methylpyridin-2-one is sourced from PubChem (CID 130624115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).