N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide

C24H27N5O3S — CID 3200714

IUPACN-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide
SMILESCCOc1ccc(N(C(=O)c2cnsn2)C(C(=O)NC2CCCCC2)c2ccncc2)cc1
InChIInChI=1S/C24H27N5O3S/c1-2-32-20-10-8-19(9-11-20)29(24(31)21-16-26-33-28-21)22(17-12-14-25-15-13-17)23(30)27-18-6-4-3-5-7-18/h8-16,18,22H,2-7H2,1H3,(H,27,30)
InChIKeyINJLUQBOLRTOMB-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.17
Rot. Bonds8

About N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide

N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide (PubChem CID 3200714) has the molecular formula C24H27N5O3S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide
PubChem CID3200714
Molecular FormulaC24H27N5O3S
Molecular Weight465.58 g/mol
Exact Mass465.18
IUPAC NameN-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide
SMILESCCOc1ccc(N(C(=O)c2cnsn2)C(C(=O)NC2CCCCC2)c2ccncc2)cc1
InChIInChI=1S/C24H27N5O3S/c1-2-32-20-10-8-19(9-11-20)29(24(31)21-16-26-33-28-21)22(17-12-14-25-15-13-17)23(30)27-18-6-4-3-5-7-18/h8-16,18,22H,2-7H2,1H3,(H,27,30)
InChIKeyINJLUQBOLRTOMB-UHFFFAOYSA-N
XLogP4.17
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethoxyphenyl)-1,2,5-thiadiazole-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

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide (CID 3200714) is N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide is CCOc1ccc(N(C(=O)c2cnsn2)C(C(=O)NC2CCCCC2)c2ccncc2)cc1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is INJLUQBOLRTOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3S/c1-2-32-20-10-8-19(9-11-20)29(24(31)21-16-26-33-28-21)22(17-12-14-25-15-13-17)23(30)27-18-6-4-3-5-7-18/h8-16,18,22H,2-7H2,1H3,(H,27,30).
What are the key properties of N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide?
N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 465.58 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 3200714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).