3-amino-1-(2-amino-4-pyridinyl)hexan-2-one

C11H17N3O — CID 116554635

IUPAC3-amino-1-(2-amino-4-pyridinyl)hexan-2-one
SMILESCCCC(N)C(=O)Cc1ccnc(N)c1
InChIInChI=1S/C11H17N3O/c1-2-3-9(12)10(15)6-8-4-5-14-11(13)7-8/h4-5,7,9H,2-3,6,12H2,1H3,(H2,13,14)
InChIKeyLJFBPGWMHOBDJG-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.90
Rot. Bonds5

About 3-amino-1-(2-amino-4-pyridinyl)hexan-2-one

3-amino-1-(2-amino-4-pyridinyl)hexan-2-one (PubChem CID 116554635) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-amino-1-(2-amino-4-pyridinyl)hexan-2-one.

Molecular Properties

Compound Name3-amino-1-(2-amino-4-pyridinyl)hexan-2-one
PubChem CID116554635
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-amino-1-(2-amino-4-pyridinyl)hexan-2-one
SMILESCCCC(N)C(=O)Cc1ccnc(N)c1
InChIInChI=1S/C11H17N3O/c1-2-3-9(12)10(15)6-8-4-5-14-11(13)7-8/h4-5,7,9H,2-3,6,12H2,1H3,(H2,13,14)
InChIKeyLJFBPGWMHOBDJG-UHFFFAOYSA-N
XLogP0.90
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 79492824
4-amino-1-(2-amino-4-pyridinyl)pentan-2-one
CID 116555905
1-(2-amino-4-pyridinyl)-3-(propylamino)propan-2-one
CID 116562828
3-amino-1-(4-chloro-3-fluorophenyl)hexan-2-one
CID 107890466
1-(2-amino-4-pyridinyl)-3-methylbut-3-en-2-one
CID 103446347
1-(3-amino-5-bromophenyl)-2-(2-amino-4-pyridinyl)ethanone
CID 116597144
ethane;4-ethylpyridin-2-amine
CID 144736585
(2-amino-4-pyridinyl)methyl propanoate
CID 166101515
3-(2-amino-4-pyridinyl)-2,2-dimethylpropanoic acid
CID 156541138
2-(2-amino-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone
CID 115533428
2-(2-amino-4-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone
CID 65407228
2-amino-4-(2-amino-4-pyridinyl)-1-(1,3-thiazol-2-yl)butan-1-one
CID 70071691

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-amino-4-pyridinyl)hexan-2-one?
The IUPAC name of 3-amino-1-(2-amino-4-pyridinyl)hexan-2-one (CID 116554635) is 3-amino-1-(2-amino-4-pyridinyl)hexan-2-one.
What is the SMILES notation for 3-amino-1-(2-amino-4-pyridinyl)hexan-2-one?
The canonical SMILES for 3-amino-1-(2-amino-4-pyridinyl)hexan-2-one is CCCC(N)C(=O)Cc1ccnc(N)c1.
What is the InChIKey of 3-amino-1-(2-amino-4-pyridinyl)hexan-2-one?
The InChIKey is LJFBPGWMHOBDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-3-9(12)10(15)6-8-4-5-14-11(13)7-8/h4-5,7,9H,2-3,6,12H2,1H3,(H2,13,14).
What are the key properties of 3-amino-1-(2-amino-4-pyridinyl)hexan-2-one?
3-amino-1-(2-amino-4-pyridinyl)hexan-2-one has a molecular weight of 207.28 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-amino-4-pyridinyl)hexan-2-one is sourced from PubChem (CID 116554635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).