N-[2-(2,6-dioxocyclohexyl)propan-2-yl]pyridine-3-carboxamide

C15H18N2O3 — CID 17333819

IUPACN-[2-(2,6-dioxocyclohexyl)propan-2-yl]pyridine-3-carboxamide
SMILESCC(C)(NC(=O)c1cccnc1)C1C(=O)CCCC1=O
InChIInChI=1S/C15H18N2O3/c1-15(2,13-11(18)6-3-7-12(13)19)17-14(20)10-5-4-8-16-9-10/h4-5,8-9,13H,3,6-7H2,1-2H3,(H,17,20)
InChIKeyIIBMWFXMVRBVCK-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.53
Rot. Bonds3

About N-[2-(2,6-dioxocyclohexyl)propan-2-yl]pyridine-3-carboxamide

N-[2-(2,6-dioxocyclohexyl)propan-2-yl]pyridine-3-carboxamide (PubChem CID 17333819) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[2-(2,6-dioxocyclohexyl)propan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dioxocyclohexyl)propan-2-yl]pyridine-3-carboxamide
PubChem CID17333819
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[2-(2,6-dioxocyclohexyl)propan-2-yl]pyridine-3-carboxamide
SMILESCC(C)(NC(=O)c1cccnc1)C1C(=O)CCCC1=O
InChIInChI=1S/C15H18N2O3/c1-15(2,13-11(18)6-3-7-12(13)19)17-14(20)10-5-4-8-16-9-10/h4-5,8-9,13H,3,6-7H2,1-2H3,(H,17,20)
InChIKeyIIBMWFXMVRBVCK-UHFFFAOYSA-N
XLogP1.53
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-pyridin-3-ylpropan-2-yl)pyridine-3-carboxamide
CID 110870312
N-(2-cyclohexyl-1-hydroxypropan-2-yl)pyridine-3-carboxamide
CID 91660588
N-(2-phenylpropan-2-yl)pyridine-3-carboxamide
CID 47444755
N-[3-(aminomethyl)pentan-3-yl]pyridine-3-carboxamide
CID 63767262
N-methylpyridine-3-carboxamide chloride
CID 20976730
N-(1-chloro-2-methylbutan-2-yl)pyridine-3-carboxamide
CID 114303570
trimethyl-(pyridine-3-carbonylamino)azanium
CID 177120197
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-[2-(4-methoxyphenyl)propan-2-yl]pyridine-3-carboxamide
CID 110442879
N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]pyridine-3-carbohydrazide
CID 2858266
N'-(2-amino-2-methylpropanoyl)pyridine-3-carbohydrazide
CID 67519841
N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 11841361

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dioxocyclohexyl)propan-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(2,6-dioxocyclohexyl)propan-2-yl]pyridine-3-carboxamide (CID 17333819) is N-[2-(2,6-dioxocyclohexyl)propan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2,6-dioxocyclohexyl)propan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2,6-dioxocyclohexyl)propan-2-yl]pyridine-3-carboxamide is CC(C)(NC(=O)c1cccnc1)C1C(=O)CCCC1=O.
What is the InChIKey of N-[2-(2,6-dioxocyclohexyl)propan-2-yl]pyridine-3-carboxamide?
The InChIKey is IIBMWFXMVRBVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-15(2,13-11(18)6-3-7-12(13)19)17-14(20)10-5-4-8-16-9-10/h4-5,8-9,13H,3,6-7H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(2,6-dioxocyclohexyl)propan-2-yl]pyridine-3-carboxamide?
N-[2-(2,6-dioxocyclohexyl)propan-2-yl]pyridine-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dioxocyclohexyl)propan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 17333819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).