N-(4-cyclohexyl-4-oxobutyl)-1-methyl-4H-pyridine-3-carboxamide

C17H26N2O2 — CID 19829106

IUPACN-(4-cyclohexyl-4-oxobutyl)-1-methyl-4H-pyridine-3-carboxamide
SMILESCN1C=CCC(C(=O)NCCCC(=O)C2CCCCC2)=C1
InChIInChI=1S/C17H26N2O2/c1-19-12-6-9-15(13-19)17(21)18-11-5-10-16(20)14-7-3-2-4-8-14/h6,12-14H,2-5,7-11H2,1H3,(H,18,21)
InChIKeyMOKNBQLGHNAIEW-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.77
Rot. Bonds6

About N-(4-cyclohexyl-4-oxobutyl)-1-methyl-4H-pyridine-3-carboxamide

N-(4-cyclohexyl-4-oxobutyl)-1-methyl-4H-pyridine-3-carboxamide (PubChem CID 19829106) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(4-cyclohexyl-4-oxobutyl)-1-methyl-4H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyclohexyl-4-oxobutyl)-1-methyl-4H-pyridine-3-carboxamide
PubChem CID19829106
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(4-cyclohexyl-4-oxobutyl)-1-methyl-4H-pyridine-3-carboxamide
SMILESCN1C=CCC(C(=O)NCCCC(=O)C2CCCCC2)=C1
InChIInChI=1S/C17H26N2O2/c1-19-12-6-9-15(13-19)17(21)18-11-5-10-16(20)14-7-3-2-4-8-14/h6,12-14H,2-5,7-11H2,1H3,(H,18,21)
InChIKeyMOKNBQLGHNAIEW-UHFFFAOYSA-N
XLogP2.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(4-cyclohexyl-4-oxobutyl)-1-methyl-4H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 143168929
CID 143168929
CID 134967356
CID 134967356
CID 26333417
CID 26333417
CID 15453546
CID 15453546
CID 22402680
CID 22402680
CID 67676870
CID 67676870
CID 73195173
CID 73195173
CID 144644430
CID 144644430
CID 144644464
CID 144644464
CID 146459454
CID 146459454
CID 146459616
CID 146459616
CID 42440572
CID 42440572

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexyl-4-oxobutyl)-1-methyl-4H-pyridine-3-carboxamide?
The IUPAC name of N-(4-cyclohexyl-4-oxobutyl)-1-methyl-4H-pyridine-3-carboxamide (CID 19829106) is N-(4-cyclohexyl-4-oxobutyl)-1-methyl-4H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-cyclohexyl-4-oxobutyl)-1-methyl-4H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-cyclohexyl-4-oxobutyl)-1-methyl-4H-pyridine-3-carboxamide is CN1C=CCC(C(=O)NCCCC(=O)C2CCCCC2)=C1.
What is the InChIKey of N-(4-cyclohexyl-4-oxobutyl)-1-methyl-4H-pyridine-3-carboxamide?
The InChIKey is MOKNBQLGHNAIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-19-12-6-9-15(13-19)17(21)18-11-5-10-16(20)14-7-3-2-4-8-14/h6,12-14H,2-5,7-11H2,1H3,(H,18,21).
What are the key properties of N-(4-cyclohexyl-4-oxobutyl)-1-methyl-4H-pyridine-3-carboxamide?
N-(4-cyclohexyl-4-oxobutyl)-1-methyl-4H-pyridine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexyl-4-oxobutyl)-1-methyl-4H-pyridine-3-carboxamide is sourced from PubChem (CID 19829106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).