1-(2-amino-3-pyridinyl)-5-(methylamino)pentan-2-one

C11H17N3O — CID 116555763

IUPAC1-(2-amino-3-pyridinyl)-5-(methylamino)pentan-2-one
SMILESCNCCCC(=O)Cc1cccnc1N
InChIInChI=1S/C11H17N3O/c1-13-6-3-5-10(15)8-9-4-2-7-14-11(9)12/h2,4,7,13H,3,5-6,8H2,1H3,(H2,12,14)
InChIKeyKIIUYWPDVIUEFR-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.77
Rot. Bonds6

About 1-(2-amino-3-pyridinyl)-5-(methylamino)pentan-2-one

1-(2-amino-3-pyridinyl)-5-(methylamino)pentan-2-one (PubChem CID 116555763) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(2-amino-3-pyridinyl)-5-(methylamino)pentan-2-one.

Molecular Properties

Compound Name1-(2-amino-3-pyridinyl)-5-(methylamino)pentan-2-one
PubChem CID116555763
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(2-amino-3-pyridinyl)-5-(methylamino)pentan-2-one
SMILESCNCCCC(=O)Cc1cccnc1N
InChIInChI=1S/C11H17N3O/c1-13-6-3-5-10(15)8-9-4-2-7-14-11(9)12/h2,4,7,13H,3,5-6,8H2,1H3,(H2,12,14)
InChIKeyKIIUYWPDVIUEFR-UHFFFAOYSA-N
XLogP0.77
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.77
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

5-(methylamino)-1-pyridin-2-ylpentan-2-one
CID 116555736
2-(2-amino-3-pyridinyl)-N-methylacetamide;hydrochloride
CID 130695658
2-(2-amino-3-pyridinyl)acetohydrazide
CID 130616635
5-(methylamino)-1-[2-(trifluoromethyl)phenyl]pentan-2-one
CID 112739531
2-(2-amino-3-pyridinyl)acetohydrazide;hydrochloride
CID 130616634
1-(2-amino-3-pyridinyl)-4-(2,2,2-trifluoroethoxy)butan-2-one
CID 103146771
4-(methylamino)-1-pyridin-2-ylbutan-1-one
CID 83816768
(E)-1-(2-amino-3-pyridinyl)pent-3-en-2-one
CID 103453454
4-amino-1-(2-amino-3-pyridinyl)-3-methylbutan-2-one
CID 116564663
1-(2-amino-3-pyridinyl)-3-(4-methylphenyl)sulfanylpropan-2-one
CID 66064579
2-(2-amino-3-pyridinyl)-1-(3-amino-2-pyridinyl)ethanone
CID 116613939
1-(4-ethylphenyl)-5-(methylamino)pentan-2-one
CID 116555578

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-pyridinyl)-5-(methylamino)pentan-2-one?
The IUPAC name of 1-(2-amino-3-pyridinyl)-5-(methylamino)pentan-2-one (CID 116555763) is 1-(2-amino-3-pyridinyl)-5-(methylamino)pentan-2-one.
What is the SMILES notation for 1-(2-amino-3-pyridinyl)-5-(methylamino)pentan-2-one?
The canonical SMILES for 1-(2-amino-3-pyridinyl)-5-(methylamino)pentan-2-one is CNCCCC(=O)Cc1cccnc1N.
What is the InChIKey of 1-(2-amino-3-pyridinyl)-5-(methylamino)pentan-2-one?
The InChIKey is KIIUYWPDVIUEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-13-6-3-5-10(15)8-9-4-2-7-14-11(9)12/h2,4,7,13H,3,5-6,8H2,1H3,(H2,12,14).
What are the key properties of 1-(2-amino-3-pyridinyl)-5-(methylamino)pentan-2-one?
1-(2-amino-3-pyridinyl)-5-(methylamino)pentan-2-one has a molecular weight of 207.28 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-pyridinyl)-5-(methylamino)pentan-2-one is sourced from PubChem (CID 116555763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).