N-[6-[3,5-bis(6-acetamido-4-ethyl-2-pyridinyl)cyclohexyl]-4-ethyl-2-pyridinyl]acetamide

C33H42N6O3 — CID 25124331

IUPACN-[6-[3,5-bis(6-acetamido-4-ethyl-2-pyridinyl)cyclohexyl]-4-ethyl-2-pyridinyl]acetamide
SMILESCCc1cc(NC(C)=O)nc(C2CC(c3cc(CC)cc(NC(C)=O)n3)CC(c3cc(CC)cc(NC(C)=O)n3)C2)c1
InChIInChI=1S/C33H42N6O3/c1-7-22-10-28(37-31(13-22)34-19(4)40)25-16-26(29-11-23(8-2)14-32(38-29)35-20(5)41)18-27(17-25)30-12-24(9-3)15-33(39-30)36-21(6)42/h10-15,25-27H,7-9,16-18H2,1-6H3,(H,34,37,40)(H,35,38,41)(H,36,39,42)
InChIKeyLDDSIMRBKYWHLU-UHFFFAOYSA-N
MW570.74 g/mol
LogP6.27
Rot. Bonds9

About N-[6-[3,5-bis(6-acetamido-4-ethyl-2-pyridinyl)cyclohexyl]-4-ethyl-2-pyridinyl]acetamide

N-[6-[3,5-bis(6-acetamido-4-ethyl-2-pyridinyl)cyclohexyl]-4-ethyl-2-pyridinyl]acetamide (PubChem CID 25124331) has the molecular formula C33H42N6O3 and a molecular weight of 570.74 g/mol. Its IUPAC name is N-[6-[3,5-bis(6-acetamido-4-ethyl-2-pyridinyl)cyclohexyl]-4-ethyl-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-[3,5-bis(6-acetamido-4-ethyl-2-pyridinyl)cyclohexyl]-4-ethyl-2-pyridinyl]acetamide
PubChem CID25124331
Molecular FormulaC33H42N6O3
Molecular Weight570.74 g/mol
Exact Mass570.33
IUPAC NameN-[6-[3,5-bis(6-acetamido-4-ethyl-2-pyridinyl)cyclohexyl]-4-ethyl-2-pyridinyl]acetamide
SMILESCCc1cc(NC(C)=O)nc(C2CC(c3cc(CC)cc(NC(C)=O)n3)CC(c3cc(CC)cc(NC(C)=O)n3)C2)c1
InChIInChI=1S/C33H42N6O3/c1-7-22-10-28(37-31(13-22)34-19(4)40)25-16-26(29-11-23(8-2)14-32(38-29)35-20(5)41)18-27(17-25)30-12-24(9-3)15-33(39-30)36-21(6)42/h10-15,25-27H,7-9,16-18H2,1-6H3,(H,34,37,40)(H,35,38,41)(H,36,39,42)
InChIKeyLDDSIMRBKYWHLU-UHFFFAOYSA-N
XLogP6.27
TPSA125.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.74
LogP ≤ 56.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[6-[3,5-bis(6-acetamido-4-ethyl-2-pyridinyl)cyclohexyl]-4-ethyl-2-pyridinyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-[3,5-bis(6-acetamido-4-ethyl-2-pyridinyl)cyclohexyl]-4-ethyl-2-pyridinyl]acetamide?
The IUPAC name of N-[6-[3,5-bis(6-acetamido-4-ethyl-2-pyridinyl)cyclohexyl]-4-ethyl-2-pyridinyl]acetamide (CID 25124331) is N-[6-[3,5-bis(6-acetamido-4-ethyl-2-pyridinyl)cyclohexyl]-4-ethyl-2-pyridinyl]acetamide.
What is the SMILES notation for N-[6-[3,5-bis(6-acetamido-4-ethyl-2-pyridinyl)cyclohexyl]-4-ethyl-2-pyridinyl]acetamide?
The canonical SMILES for N-[6-[3,5-bis(6-acetamido-4-ethyl-2-pyridinyl)cyclohexyl]-4-ethyl-2-pyridinyl]acetamide is CCc1cc(NC(C)=O)nc(C2CC(c3cc(CC)cc(NC(C)=O)n3)CC(c3cc(CC)cc(NC(C)=O)n3)C2)c1.
What is the InChIKey of N-[6-[3,5-bis(6-acetamido-4-ethyl-2-pyridinyl)cyclohexyl]-4-ethyl-2-pyridinyl]acetamide?
The InChIKey is LDDSIMRBKYWHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42N6O3/c1-7-22-10-28(37-31(13-22)34-19(4)40)25-16-26(29-11-23(8-2)14-32(38-29)35-20(5)41)18-27(17-25)30-12-24(9-3)15-33(39-30)36-21(6)42/h10-15,25-27H,7-9,16-18H2,1-6H3,(H,34,37,40)(H,35,38,41)(H,36,39,42).
What are the key properties of N-[6-[3,5-bis(6-acetamido-4-ethyl-2-pyridinyl)cyclohexyl]-4-ethyl-2-pyridinyl]acetamide?
N-[6-[3,5-bis(6-acetamido-4-ethyl-2-pyridinyl)cyclohexyl]-4-ethyl-2-pyridinyl]acetamide has a molecular weight of 570.74 g/mol, XLogP of 6.27, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3,5-bis(6-acetamido-4-ethyl-2-pyridinyl)cyclohexyl]-4-ethyl-2-pyridinyl]acetamide is sourced from PubChem (CID 25124331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).