1-ethyl-5-(heptan-3-ylamino)pyridin-2-one

C14H24N2O — CID 63944956

IUPAC1-ethyl-5-(heptan-3-ylamino)pyridin-2-one
SMILESCCCCC(CC)Nc1ccc(=O)n(CC)c1
InChIInChI=1S/C14H24N2O/c1-4-7-8-12(5-2)15-13-9-10-14(17)16(6-3)11-13/h9-12,15H,4-8H2,1-3H3
InChIKeyIBWQXDBRYUPPFY-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.25
Rot. Bonds7

About 1-ethyl-5-(heptan-3-ylamino)pyridin-2-one

1-ethyl-5-(heptan-3-ylamino)pyridin-2-one (PubChem CID 63944956) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-ethyl-5-(heptan-3-ylamino)pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-5-(heptan-3-ylamino)pyridin-2-one
PubChem CID63944956
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-ethyl-5-(heptan-3-ylamino)pyridin-2-one
SMILESCCCCC(CC)Nc1ccc(=O)n(CC)c1
InChIInChI=1S/C14H24N2O/c1-4-7-8-12(5-2)15-13-9-10-14(17)16(6-3)11-13/h9-12,15H,4-8H2,1-3H3
InChIKeyIBWQXDBRYUPPFY-UHFFFAOYSA-N
XLogP3.25
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(heptan-3-ylamino)pyridin-2-one?
The IUPAC name of 1-ethyl-5-(heptan-3-ylamino)pyridin-2-one (CID 63944956) is 1-ethyl-5-(heptan-3-ylamino)pyridin-2-one.
What is the SMILES notation for 1-ethyl-5-(heptan-3-ylamino)pyridin-2-one?
The canonical SMILES for 1-ethyl-5-(heptan-3-ylamino)pyridin-2-one is CCCCC(CC)Nc1ccc(=O)n(CC)c1.
What is the InChIKey of 1-ethyl-5-(heptan-3-ylamino)pyridin-2-one?
The InChIKey is IBWQXDBRYUPPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-7-8-12(5-2)15-13-9-10-14(17)16(6-3)11-13/h9-12,15H,4-8H2,1-3H3.
What are the key properties of 1-ethyl-5-(heptan-3-ylamino)pyridin-2-one?
1-ethyl-5-(heptan-3-ylamino)pyridin-2-one has a molecular weight of 236.36 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(heptan-3-ylamino)pyridin-2-one is sourced from PubChem (CID 63944956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).