N-[3,5-bis[methyl-(4-pyridin-2-ylbenzoyl)amino]cyclohexyl]-N-methyl-4-pyridin-2-ylbenzamide

C45H42N6O3 — CID 134179299

IUPACN-[3,5-bis[methyl-(4-pyridin-2-ylbenzoyl)amino]cyclohexyl]-N-methyl-4-pyridin-2-ylbenzamide
SMILESCN(C(=O)c1ccc(-c2ccccn2)cc1)C1CC(N(C)C(=O)c2ccc(-c3ccccn3)cc2)CC(N(C)C(=O)c2ccc(-c3ccccn3)cc2)C1
InChIInChI=1S/C45H42N6O3/c1-49(43(52)34-19-13-31(14-20-34)40-10-4-7-25-46-40)37-28-38(50(2)44(53)35-21-15-32(16-22-35)41-11-5-8-26-47-41)30-39(29-37)51(3)45(54)36-23-17-33(18-24-36)42-12-6-9-27-48-42/h4-27,37-39H,28-30H2,1-3H3
InChIKeyLNRHFARLQSZRQU-UHFFFAOYSA-N
MW714.87 g/mol
LogP7.78
Rot. Bonds9

About N-[3,5-bis[methyl-(4-pyridin-2-ylbenzoyl)amino]cyclohexyl]-N-methyl-4-pyridin-2-ylbenzamide

N-[3,5-bis[methyl-(4-pyridin-2-ylbenzoyl)amino]cyclohexyl]-N-methyl-4-pyridin-2-ylbenzamide (PubChem CID 134179299) has the molecular formula C45H42N6O3 and a molecular weight of 714.87 g/mol. Its IUPAC name is N-[3,5-bis[methyl-(4-pyridin-2-ylbenzoyl)amino]cyclohexyl]-N-methyl-4-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-[3,5-bis[methyl-(4-pyridin-2-ylbenzoyl)amino]cyclohexyl]-N-methyl-4-pyridin-2-ylbenzamide
PubChem CID134179299
Molecular FormulaC45H42N6O3
Molecular Weight714.87 g/mol
Exact Mass714.33
IUPAC NameN-[3,5-bis[methyl-(4-pyridin-2-ylbenzoyl)amino]cyclohexyl]-N-methyl-4-pyridin-2-ylbenzamide
SMILESCN(C(=O)c1ccc(-c2ccccn2)cc1)C1CC(N(C)C(=O)c2ccc(-c3ccccn3)cc2)CC(N(C)C(=O)c2ccc(-c3ccccn3)cc2)C1
InChIInChI=1S/C45H42N6O3/c1-49(43(52)34-19-13-31(14-20-34)40-10-4-7-25-46-40)37-28-38(50(2)44(53)35-21-15-32(16-22-35)41-11-5-8-26-47-41)30-39(29-37)51(3)45(54)36-23-17-33(18-24-36)42-12-6-9-27-48-42/h4-27,37-39H,28-30H2,1-3H3
InChIKeyLNRHFARLQSZRQU-UHFFFAOYSA-N
XLogP7.78
TPSA99.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.87
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[3,5-bis[methyl-(4-pyridin-2-ylbenzoyl)amino]cyclohexyl]-N-methyl-4-pyridin-2-ylbenzamide 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

2-[methyl-(4-pyridin-2-ylbenzoyl)amino]acetic acid
CID 110464860
N-[(3R)-3-[benzoyl(methyl)amino]cyclohexyl]-N-methylbenzamide
CID 143430707
N-methyl-4-pyridin-2-ylbenzamide
CID 110464841
2-phenylpyridine;propan-2-one
CID 174845023
N-methyl-N-(1-methylpiperidin-4-yl)-6-phenylpyridine-3-carboxamide
CID 42802995
N-propan-2-yl-4-pyridin-2-ylbenzamide
CID 59672619
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylbenzamide;hydrochloride
CID 71758248
4-ethyl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide
CID 47091378
N-cyclopropyl-4-pyridin-2-yl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
CID 90382071
N-cyclobutyl-N-methylpyridine-2-carboxamide
CID 126857014
N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-4-phenylbenzamide
CID 2312425
N-methyl-4-phenyl-N-pyridin-2-ylbenzamide
CID 51051172

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis[methyl-(4-pyridin-2-ylbenzoyl)amino]cyclohexyl]-N-methyl-4-pyridin-2-ylbenzamide?
The IUPAC name of N-[3,5-bis[methyl-(4-pyridin-2-ylbenzoyl)amino]cyclohexyl]-N-methyl-4-pyridin-2-ylbenzamide (CID 134179299) is N-[3,5-bis[methyl-(4-pyridin-2-ylbenzoyl)amino]cyclohexyl]-N-methyl-4-pyridin-2-ylbenzamide.
What is the SMILES notation for N-[3,5-bis[methyl-(4-pyridin-2-ylbenzoyl)amino]cyclohexyl]-N-methyl-4-pyridin-2-ylbenzamide?
The canonical SMILES for N-[3,5-bis[methyl-(4-pyridin-2-ylbenzoyl)amino]cyclohexyl]-N-methyl-4-pyridin-2-ylbenzamide is CN(C(=O)c1ccc(-c2ccccn2)cc1)C1CC(N(C)C(=O)c2ccc(-c3ccccn3)cc2)CC(N(C)C(=O)c2ccc(-c3ccccn3)cc2)C1.
What is the InChIKey of N-[3,5-bis[methyl-(4-pyridin-2-ylbenzoyl)amino]cyclohexyl]-N-methyl-4-pyridin-2-ylbenzamide?
The InChIKey is LNRHFARLQSZRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H42N6O3/c1-49(43(52)34-19-13-31(14-20-34)40-10-4-7-25-46-40)37-28-38(50(2)44(53)35-21-15-32(16-22-35)41-11-5-8-26-47-41)30-39(29-37)51(3)45(54)36-23-17-33(18-24-36)42-12-6-9-27-48-42/h4-27,37-39H,28-30H2,1-3H3.
What are the key properties of N-[3,5-bis[methyl-(4-pyridin-2-ylbenzoyl)amino]cyclohexyl]-N-methyl-4-pyridin-2-ylbenzamide?
N-[3,5-bis[methyl-(4-pyridin-2-ylbenzoyl)amino]cyclohexyl]-N-methyl-4-pyridin-2-ylbenzamide has a molecular weight of 714.87 g/mol, XLogP of 7.78, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis[methyl-(4-pyridin-2-ylbenzoyl)amino]cyclohexyl]-N-methyl-4-pyridin-2-ylbenzamide is sourced from PubChem (CID 134179299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).