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

C23H25N5O2S — CID 5124309

IUPACN-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide
SMILESCc1cccc(N(C(=O)c2cnsn2)C(C(=O)NC2CCCCC2)c2ccncc2)c1
InChIInChI=1S/C23H25N5O2S/c1-16-6-5-9-19(14-16)28(23(30)20-15-25-31-27-20)21(17-10-12-24-13-11-17)22(29)26-18-7-3-2-4-8-18/h5-6,9-15,18,21H,2-4,7-8H2,1H3,(H,26,29)
InChIKeyDFOHTQUNVYBHTC-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.08
Rot. Bonds6

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

N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide (PubChem CID 5124309) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide
PubChem CID5124309
Molecular FormulaC23H25N5O2S
Molecular Weight435.55 g/mol
Exact Mass435.17
IUPAC NameN-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide
SMILESCc1cccc(N(C(=O)c2cnsn2)C(C(=O)NC2CCCCC2)c2ccncc2)c1
InChIInChI=1S/C23H25N5O2S/c1-16-6-5-9-19(14-16)28(23(30)20-15-25-31-27-20)21(17-10-12-24-13-11-17)22(29)26-18-7-3-2-4-8-18/h5-6,9-15,18,21H,2-4,7-8H2,1H3,(H,26,29)
InChIKeyDFOHTQUNVYBHTC-UHFFFAOYSA-N
XLogP4.08
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-5-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-5-N-(3-methylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 40614227
N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide
CID 3219206
N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide
CID 3200686
N-[(1S)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 1167318
N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide
CID 3222586
N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-pyridin-3-ylpyridine-2-carboxamide
CID 3562026
N-[(1S)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 1457868
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide
CID 1469065
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide
CID 3196514
N-(3-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]pyrazine-2-carboxamide
CID 3184828
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide
CID 1469105
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide
CID 1469106

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide (CID 5124309) is N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide is Cc1cccc(N(C(=O)c2cnsn2)C(C(=O)NC2CCCCC2)c2ccncc2)c1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is DFOHTQUNVYBHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S/c1-16-6-5-9-19(14-16)28(23(30)20-15-25-31-27-20)21(17-10-12-24-13-11-17)22(29)26-18-7-3-2-4-8-18/h5-6,9-15,18,21H,2-4,7-8H2,1H3,(H,26,29).
What are the key properties of N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide?
N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 5124309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).