1-[4-(cyclopropylamino)butyl]-4-methylpyridin-2-one

C13H20N2O — CID 62988187

IUPAC1-[4-(cyclopropylamino)butyl]-4-methylpyridin-2-one
SMILESCc1ccn(CCCCNC2CC2)c(=O)c1
InChIInChI=1S/C13H20N2O/c1-11-6-9-15(13(16)10-11)8-3-2-7-14-12-4-5-12/h6,9-10,12,14H,2-5,7-8H2,1H3
InChIKeyKKEDNLZJNAGPTF-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.69
Rot. Bonds6

About 1-[4-(cyclopropylamino)butyl]-4-methylpyridin-2-one

1-[4-(cyclopropylamino)butyl]-4-methylpyridin-2-one (PubChem CID 62988187) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[4-(cyclopropylamino)butyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-[4-(cyclopropylamino)butyl]-4-methylpyridin-2-one
PubChem CID62988187
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[4-(cyclopropylamino)butyl]-4-methylpyridin-2-one
SMILESCc1ccn(CCCCNC2CC2)c(=O)c1
InChIInChI=1S/C13H20N2O/c1-11-6-9-15(13(16)10-11)8-3-2-7-14-12-4-5-12/h6,9-10,12,14H,2-5,7-8H2,1H3
InChIKeyKKEDNLZJNAGPTF-UHFFFAOYSA-N
XLogP1.69
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.69
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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Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylamino)butyl]-4-methylpyridin-2-one?
The IUPAC name of 1-[4-(cyclopropylamino)butyl]-4-methylpyridin-2-one (CID 62988187) is 1-[4-(cyclopropylamino)butyl]-4-methylpyridin-2-one.
What is the SMILES notation for 1-[4-(cyclopropylamino)butyl]-4-methylpyridin-2-one?
The canonical SMILES for 1-[4-(cyclopropylamino)butyl]-4-methylpyridin-2-one is Cc1ccn(CCCCNC2CC2)c(=O)c1.
What is the InChIKey of 1-[4-(cyclopropylamino)butyl]-4-methylpyridin-2-one?
The InChIKey is KKEDNLZJNAGPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11-6-9-15(13(16)10-11)8-3-2-7-14-12-4-5-12/h6,9-10,12,14H,2-5,7-8H2,1H3.
What are the key properties of 1-[4-(cyclopropylamino)butyl]-4-methylpyridin-2-one?
1-[4-(cyclopropylamino)butyl]-4-methylpyridin-2-one has a molecular weight of 220.32 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylamino)butyl]-4-methylpyridin-2-one is sourced from PubChem (CID 62988187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).