6-methyl-1-pentyl-4-(pentylamino)pyridin-2-one

C16H28N2O — CID 127048643

IUPAC6-methyl-1-pentyl-4-(pentylamino)pyridin-2-one
SMILESCCCCCNc1cc(C)n(CCCCC)c(=O)c1
InChIInChI=1S/C16H28N2O/c1-4-6-8-10-17-15-12-14(3)18(16(19)13-15)11-9-7-5-2/h12-13,17H,4-11H2,1-3H3
InChIKeyDEWIQAQXNMTVRW-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.95
Rot. Bonds9

About 6-methyl-1-pentyl-4-(pentylamino)pyridin-2-one

6-methyl-1-pentyl-4-(pentylamino)pyridin-2-one (PubChem CID 127048643) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 6-methyl-1-pentyl-4-(pentylamino)pyridin-2-one.

Molecular Properties

Compound Name6-methyl-1-pentyl-4-(pentylamino)pyridin-2-one
PubChem CID127048643
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name6-methyl-1-pentyl-4-(pentylamino)pyridin-2-one
SMILESCCCCCNc1cc(C)n(CCCCC)c(=O)c1
InChIInChI=1S/C16H28N2O/c1-4-6-8-10-17-15-12-14(3)18(16(19)13-15)11-9-7-5-2/h12-13,17H,4-11H2,1-3H3
InChIKeyDEWIQAQXNMTVRW-UHFFFAOYSA-N
XLogP3.95
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.95
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 6-methyl-1-pentyl-4-(pentylamino)pyridin-2-one?
The IUPAC name of 6-methyl-1-pentyl-4-(pentylamino)pyridin-2-one (CID 127048643) is 6-methyl-1-pentyl-4-(pentylamino)pyridin-2-one.
What is the SMILES notation for 6-methyl-1-pentyl-4-(pentylamino)pyridin-2-one?
The canonical SMILES for 6-methyl-1-pentyl-4-(pentylamino)pyridin-2-one is CCCCCNc1cc(C)n(CCCCC)c(=O)c1.
What is the InChIKey of 6-methyl-1-pentyl-4-(pentylamino)pyridin-2-one?
The InChIKey is DEWIQAQXNMTVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-6-8-10-17-15-12-14(3)18(16(19)13-15)11-9-7-5-2/h12-13,17H,4-11H2,1-3H3.
What are the key properties of 6-methyl-1-pentyl-4-(pentylamino)pyridin-2-one?
6-methyl-1-pentyl-4-(pentylamino)pyridin-2-one has a molecular weight of 264.41 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-pentyl-4-(pentylamino)pyridin-2-one is sourced from PubChem (CID 127048643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).