ethane;1-hexan-3-yl-2-oxopyridine-3-carboxamide

C14H24N2O2 — CID 143596592

IUPACethane;1-hexan-3-yl-2-oxopyridine-3-carboxamide
SMILESCC.CCCC(CC)n1cccc(C(N)=O)c1=O
InChIInChI=1S/C12H18N2O2.C2H6/c1-3-6-9(4-2)14-8-5-7-10(11(13)15)12(14)16;1-2/h5,7-9H,3-4,6H2,1-2H3,(H2,13,15);1-2H3
InChIKeyVHLJSNHLIOKFCC-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.72
Rot. Bonds5

About ethane;1-hexan-3-yl-2-oxopyridine-3-carboxamide

ethane;1-hexan-3-yl-2-oxopyridine-3-carboxamide (PubChem CID 143596592) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is ethane;1-hexan-3-yl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Nameethane;1-hexan-3-yl-2-oxopyridine-3-carboxamide
PubChem CID143596592
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Nameethane;1-hexan-3-yl-2-oxopyridine-3-carboxamide
SMILESCC.CCCC(CC)n1cccc(C(N)=O)c1=O
InChIInChI=1S/C12H18N2O2.C2H6/c1-3-6-9(4-2)14-8-5-7-10(11(13)15)12(14)16;1-2/h5,7-9H,3-4,6H2,1-2H3,(H2,13,15);1-2H3
InChIKeyVHLJSNHLIOKFCC-UHFFFAOYSA-N
XLogP2.72
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-hexan-3-yl-2-oxopyridine-3-carboxamide?
The IUPAC name of ethane;1-hexan-3-yl-2-oxopyridine-3-carboxamide (CID 143596592) is ethane;1-hexan-3-yl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for ethane;1-hexan-3-yl-2-oxopyridine-3-carboxamide?
The canonical SMILES for ethane;1-hexan-3-yl-2-oxopyridine-3-carboxamide is CC.CCCC(CC)n1cccc(C(N)=O)c1=O.
What is the InChIKey of ethane;1-hexan-3-yl-2-oxopyridine-3-carboxamide?
The InChIKey is VHLJSNHLIOKFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2.C2H6/c1-3-6-9(4-2)14-8-5-7-10(11(13)15)12(14)16;1-2/h5,7-9H,3-4,6H2,1-2H3,(H2,13,15);1-2H3.
What are the key properties of ethane;1-hexan-3-yl-2-oxopyridine-3-carboxamide?
ethane;1-hexan-3-yl-2-oxopyridine-3-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-hexan-3-yl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 143596592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).