1-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-hydroxy-2-methylpyridin-4-one

C16H30N4O2 — CID 11266903

IUPAC1-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-hydroxy-2-methylpyridin-4-one
SMILESCc1c(O)c(=O)ccn1CCCNCCCCNCCCN
InChIInChI=1S/C16H30N4O2/c1-14-16(22)15(21)6-13-20(14)12-5-11-19-9-3-2-8-18-10-4-7-17/h6,13,18-19,22H,2-5,7-12,17H2,1H3
InChIKeyAGWMHJAKUAQQIP-UHFFFAOYSA-N
MW310.44 g/mol
LogP0.56
Rot. Bonds12

About 1-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-hydroxy-2-methylpyridin-4-one

1-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-hydroxy-2-methylpyridin-4-one (PubChem CID 11266903) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-hydroxy-2-methylpyridin-4-one.

Molecular Properties

Compound Name1-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-hydroxy-2-methylpyridin-4-one
PubChem CID11266903
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name1-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-hydroxy-2-methylpyridin-4-one
SMILESCc1c(O)c(=O)ccn1CCCNCCCCNCCCN
InChIInChI=1S/C16H30N4O2/c1-14-16(22)15(21)6-13-20(14)12-5-11-19-9-3-2-8-18-10-4-7-17/h6,13,18-19,22H,2-5,7-12,17H2,1H3
InChIKeyAGWMHJAKUAQQIP-UHFFFAOYSA-N
XLogP0.56
TPSA92.31 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 50.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-3-hydroxypyridin-4(1H)-one
CID 10975567
3-(3-Hydroxy-2-methyl-4-oxo-1(4H)-pyridinyl)-N-propylpropanamide
CID 13336721
4(1H)-Pyridinone, 1-butyl-2-ethyl-3-hydroxy-
CID 14956305
1(4H)-Pyridinebutanamide, 3-hydroxy-N,2-dimethyl-4-oxo-
CID 10609176
N-Ethyl-3-hydroxy-2-methyl-4-oxo-1(4H)-pyridinepropanamide
CID 14956315
3-(3-Hydroxy-2-methyl-4-oxo-1(4H)-pyridinyl)-N-isopropylpropanamide
CID 14956316
N-Butyl-3-(3-hydroxy-2-methyl-4-oxopyridin-1(4H)-yl)propanamide
CID 14956317
4-Pyridinone,3-OH-2-Me-1-(2-Am)Et
CID 434881
1-(2-Aminoethyl)-3-hydroxy-2-methylpyridin-4-one;hydrochloride
CID 10330568
1-(N-acetyl-6-aminohexyl)-3-hydroxy-2-methylpyridin-4-one
CID 117072346
3-(3-Hydroxy-2-methyl-4-oxo-1(4H)-pyridinyl)-N-methylpropanamide
CID 14956314
1-(3-Aminopropyl)-3-hydroxy-2-methylpyridin-4-one;hydrochloride
CID 49796335

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-hydroxy-2-methylpyridin-4-one?
The IUPAC name of 1-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-hydroxy-2-methylpyridin-4-one (CID 11266903) is 1-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-hydroxy-2-methylpyridin-4-one.
What is the SMILES notation for 1-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-hydroxy-2-methylpyridin-4-one?
The canonical SMILES for 1-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-hydroxy-2-methylpyridin-4-one is Cc1c(O)c(=O)ccn1CCCNCCCCNCCCN.
What is the InChIKey of 1-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-hydroxy-2-methylpyridin-4-one?
The InChIKey is AGWMHJAKUAQQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-14-16(22)15(21)6-13-20(14)12-5-11-19-9-3-2-8-18-10-4-7-17/h6,13,18-19,22H,2-5,7-12,17H2,1H3.
What are the key properties of 1-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-hydroxy-2-methylpyridin-4-one?
1-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-hydroxy-2-methylpyridin-4-one has a molecular weight of 310.44 g/mol, XLogP of 0.56, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-hydroxy-2-methylpyridin-4-one is sourced from PubChem (CID 11266903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).