N-(6-ethoxy-3-pyridinyl)-1-(4-nitrophenyl)cyclohexane-1-carboxamide

C20H23N3O4 — CID 100770596

IUPACN-(6-ethoxy-3-pyridinyl)-1-(4-nitrophenyl)cyclohexane-1-carboxamide
SMILESCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cn1
InChIInChI=1S/C20H23N3O4/c1-2-27-18-11-8-16(14-21-18)22-19(24)20(12-4-3-5-13-20)15-6-9-17(10-7-15)23(25)26/h6-11,14H,2-5,12-13H2,1H3,(H,22,24)
InChIKeyKRCQMMSXLHLIDI-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.23
Rot. Bonds6

About N-(6-ethoxy-3-pyridinyl)-1-(4-nitrophenyl)cyclohexane-1-carboxamide

N-(6-ethoxy-3-pyridinyl)-1-(4-nitrophenyl)cyclohexane-1-carboxamide (PubChem CID 100770596) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(6-ethoxy-3-pyridinyl)-1-(4-nitrophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(6-ethoxy-3-pyridinyl)-1-(4-nitrophenyl)cyclohexane-1-carboxamide
PubChem CID100770596
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-(6-ethoxy-3-pyridinyl)-1-(4-nitrophenyl)cyclohexane-1-carboxamide
SMILESCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cn1
InChIInChI=1S/C20H23N3O4/c1-2-27-18-11-8-16(14-21-18)22-19(24)20(12-4-3-5-13-20)15-6-9-17(10-7-15)23(25)26/h6-11,14H,2-5,12-13H2,1H3,(H,22,24)
InChIKeyKRCQMMSXLHLIDI-UHFFFAOYSA-N
XLogP4.23
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(6-ethoxy-3-pyridinyl)-1-(4-nitrophenyl)cyclohexane-1-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

N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 100769274
methyl 2-ethoxy-5-[[1-(4-nitrophenyl)cyclohexanecarbonyl]amino]benzoate
CID 100744886
N-(5-methyl-6-propoxy-3-pyridinyl)-1-(4-nitrophenyl)cyclohexane-1-carboxamide
CID 100770671
N-[4-(2-ethoxyethoxy)phenyl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 100659626
N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100769840
N-(3-methyl-4-propoxyphenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 100659685
N-(6-butoxy-5-methyl-3-pyridinyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 100769324
N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100770358
N-(4-butan-2-yloxyphenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 133179608
N-[4-[3-(diethylamino)propoxy]phenyl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 100659441
N-(4-methoxyphenyl)-1-[4-[[2-(4-nitrophenyl)acetyl]amino]phenyl]cyclopentane-1-carboxamide
CID 2958215
1-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]cyclohexane-1-carboxamide
CID 100781335

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-3-pyridinyl)-1-(4-nitrophenyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(6-ethoxy-3-pyridinyl)-1-(4-nitrophenyl)cyclohexane-1-carboxamide (CID 100770596) is N-(6-ethoxy-3-pyridinyl)-1-(4-nitrophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(6-ethoxy-3-pyridinyl)-1-(4-nitrophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(6-ethoxy-3-pyridinyl)-1-(4-nitrophenyl)cyclohexane-1-carboxamide is CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cn1.
What is the InChIKey of N-(6-ethoxy-3-pyridinyl)-1-(4-nitrophenyl)cyclohexane-1-carboxamide?
The InChIKey is KRCQMMSXLHLIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-2-27-18-11-8-16(14-21-18)22-19(24)20(12-4-3-5-13-20)15-6-9-17(10-7-15)23(25)26/h6-11,14H,2-5,12-13H2,1H3,(H,22,24).
What are the key properties of N-(6-ethoxy-3-pyridinyl)-1-(4-nitrophenyl)cyclohexane-1-carboxamide?
N-(6-ethoxy-3-pyridinyl)-1-(4-nitrophenyl)cyclohexane-1-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-3-pyridinyl)-1-(4-nitrophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 100770596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).