5-(heptylamino)-1-methylpyridin-2-one

C13H22N2O — CID 60930783

IUPAC5-(heptylamino)-1-methylpyridin-2-one
SMILESCCCCCCCNc1ccc(=O)n(C)c1
InChIInChI=1S/C13H22N2O/c1-3-4-5-6-7-10-14-12-8-9-13(16)15(2)11-12/h8-9,11,14H,3-7,10H2,1-2H3
InChIKeyCRASRUDOQKIGLZ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.77
Rot. Bonds7

About 5-(heptylamino)-1-methylpyridin-2-one

5-(heptylamino)-1-methylpyridin-2-one (PubChem CID 60930783) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 5-(heptylamino)-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-(heptylamino)-1-methylpyridin-2-one
PubChem CID60930783
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name5-(heptylamino)-1-methylpyridin-2-one
SMILESCCCCCCCNc1ccc(=O)n(C)c1
InChIInChI=1S/C13H22N2O/c1-3-4-5-6-7-10-14-12-8-9-13(16)15(2)11-12/h8-9,11,14H,3-7,10H2,1-2H3
InChIKeyCRASRUDOQKIGLZ-UHFFFAOYSA-N
XLogP2.77
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-5-(pentylamino)pyridin-2-one
CID 60942788
1-methyl-5-(2-methylbutylamino)pyridin-2-one
CID 60931970
5-(heptylamino)-2-methylisoindole-1,3-dione
CID 14911571
1-methyl-4-(tetradecylamino)pyrrole-2-carboxylic acid
CID 57156776
4-methyl-N-octylaniline
CID 11816856
4-fluoro-N-heptylaniline
CID 43129312
1-ethyl-N-pentylpyrrol-3-amine
CID 172688744
4-ethylsulfonyl-N-pentylaniline
CID 43453358
4-(nonadecylamino)benzaldehyde
CID 20556317
5-[(5-ethylthiophen-2-yl)methylamino]-1-methylpyridin-2-one
CID 62345735
5-[(5-ethylfuran-2-yl)methylamino]-1-methylpyridin-2-one
CID 62345999
N-nonadecylaniline
CID 54509054

Frequently Asked Questions

What is the IUPAC name of 5-(heptylamino)-1-methylpyridin-2-one?
The IUPAC name of 5-(heptylamino)-1-methylpyridin-2-one (CID 60930783) is 5-(heptylamino)-1-methylpyridin-2-one.
What is the SMILES notation for 5-(heptylamino)-1-methylpyridin-2-one?
The canonical SMILES for 5-(heptylamino)-1-methylpyridin-2-one is CCCCCCCNc1ccc(=O)n(C)c1.
What is the InChIKey of 5-(heptylamino)-1-methylpyridin-2-one?
The InChIKey is CRASRUDOQKIGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-4-5-6-7-10-14-12-8-9-13(16)15(2)11-12/h8-9,11,14H,3-7,10H2,1-2H3.
What are the key properties of 5-(heptylamino)-1-methylpyridin-2-one?
5-(heptylamino)-1-methylpyridin-2-one has a molecular weight of 222.33 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(heptylamino)-1-methylpyridin-2-one is sourced from PubChem (CID 60930783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).