N-(1-cyclohexyl-1-oxobutan-2-yl)-1-methyl-4H-pyridine-3-carboxamide

C17H26N2O2 — CID 22402680

IUPACN-(1-cyclohexyl-1-oxobutan-2-yl)-1-methyl-4H-pyridine-3-carboxamide
SMILESCCC(NC(=O)C1=CN(C)C=CC1)C(=O)C1CCCCC1
InChIInChI=1S/C17H26N2O2/c1-3-15(16(20)13-8-5-4-6-9-13)18-17(21)14-10-7-11-19(2)12-14/h7,11-13,15H,3-6,8-10H2,1-2H3,(H,18,21)
InChIKeyGSERTUGPPXFDFK-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.76
Rot. Bonds5

About N-(1-cyclohexyl-1-oxobutan-2-yl)-1-methyl-4H-pyridine-3-carboxamide

N-(1-cyclohexyl-1-oxobutan-2-yl)-1-methyl-4H-pyridine-3-carboxamide (PubChem CID 22402680) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(1-cyclohexyl-1-oxobutan-2-yl)-1-methyl-4H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-1-oxobutan-2-yl)-1-methyl-4H-pyridine-3-carboxamide
PubChem CID22402680
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(1-cyclohexyl-1-oxobutan-2-yl)-1-methyl-4H-pyridine-3-carboxamide
SMILESCCC(NC(=O)C1=CN(C)C=CC1)C(=O)C1CCCCC1
InChIInChI=1S/C17H26N2O2/c1-3-15(16(20)13-8-5-4-6-9-13)18-17(21)14-10-7-11-19(2)12-14/h7,11-13,15H,3-6,8-10H2,1-2H3,(H,18,21)
InChIKeyGSERTUGPPXFDFK-UHFFFAOYSA-N
XLogP2.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-oxo-1,6,9,9a-tetrahydroquinolizin-3-yl)cyclohexanecarboxamide
CID 155815051
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CID 155815675
N-(4-cyclohexyl-4-oxobutyl)-1-methyl-4H-pyridine-3-carboxamide
CID 19829106
N-(4-oxo-1H-pyridin-3-yl)cyclohexanecarboxamide
CID 47176362
N-(4-cyclohexyl-4-oxobutyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
CID 67676870
N-(1-cyclohexyl-3-oxohept-6-en-2-yl)-2-methylbutanamide
CID 141965081
N-[(1S)-1-cyclohexyl-2-oxobut-3-enyl]acetamide
CID 142110105
ethane;4-[(3-oxopent-4-en-2-ylamino)methyl]-N-pentylcyclohexane-1-carboxamide
CID 144145324
2-cyclohexyl-N-(2,2,5-trimethyl-4-oxohex-5-en-3-yl)acetamide;molecular hydrogen
CID 145466421
N-(1-cyclohexyl-3-methyl-2-oxobut-3-enyl)butanamide;molecular hydrogen
CID 145466744
N-ethyl-2-methyl-N-[[4-[4-methyl-2-(methylamino)-3-oxopent-4-enyl]cyclohexyl]methyl]prop-2-enamide
CID 146304565
N-(1-cyclohexyl-3-methyl-2-oxobutyl)pent-4-enamide
CID 176580419

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-1-oxobutan-2-yl)-1-methyl-4H-pyridine-3-carboxamide?
The IUPAC name of N-(1-cyclohexyl-1-oxobutan-2-yl)-1-methyl-4H-pyridine-3-carboxamide (CID 22402680) is N-(1-cyclohexyl-1-oxobutan-2-yl)-1-methyl-4H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1-cyclohexyl-1-oxobutan-2-yl)-1-methyl-4H-pyridine-3-carboxamide?
The canonical SMILES for N-(1-cyclohexyl-1-oxobutan-2-yl)-1-methyl-4H-pyridine-3-carboxamide is CCC(NC(=O)C1=CN(C)C=CC1)C(=O)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexyl-1-oxobutan-2-yl)-1-methyl-4H-pyridine-3-carboxamide?
The InChIKey is GSERTUGPPXFDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-15(16(20)13-8-5-4-6-9-13)18-17(21)14-10-7-11-19(2)12-14/h7,11-13,15H,3-6,8-10H2,1-2H3,(H,18,21).
What are the key properties of N-(1-cyclohexyl-1-oxobutan-2-yl)-1-methyl-4H-pyridine-3-carboxamide?
N-(1-cyclohexyl-1-oxobutan-2-yl)-1-methyl-4H-pyridine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-1-oxobutan-2-yl)-1-methyl-4H-pyridine-3-carboxamide is sourced from PubChem (CID 22402680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).