N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-pyridin-3-ylpyridine-2-carboxamide

C23H24N4O2S — CID 3205928

IUPACN-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-pyridin-3-ylpyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)C(c1cccs1)N(C(=O)c1ccccn1)c1cccnc1
InChIInChI=1S/C23H24N4O2S/c28-22(26-17-8-2-1-3-9-17)21(20-12-7-15-30-20)27(18-10-6-13-24-16-18)23(29)19-11-4-5-14-25-19/h4-7,10-17,21H,1-3,8-9H2,(H,26,28)
InChIKeyPSCRDURDBQMYCC-UHFFFAOYSA-N
MW420.54 g/mol
LogP4.38
Rot. Bonds6

About N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-pyridin-3-ylpyridine-2-carboxamide

N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-pyridin-3-ylpyridine-2-carboxamide (PubChem CID 3205928) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-pyridin-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-pyridin-3-ylpyridine-2-carboxamide
PubChem CID3205928
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC NameN-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-pyridin-3-ylpyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)C(c1cccs1)N(C(=O)c1ccccn1)c1cccnc1
InChIInChI=1S/C23H24N4O2S/c28-22(26-17-8-2-1-3-9-17)21(20-12-7-15-30-20)27(18-10-6-13-24-16-18)23(29)19-11-4-5-14-25-19/h4-7,10-17,21H,1-3,8-9H2,(H,26,28)
InChIKeyPSCRDURDBQMYCC-UHFFFAOYSA-N
XLogP4.38
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide
CID 1439570
N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-pyridin-3-ylpyridine-2-carboxamide
CID 3562026
N-(3-acetylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]pyridine-2-carboxamide
CID 40782591
N-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide
CID 1439635
N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-hydroxyphenyl)pyrazine-2-carboxamide
CID 3173750
N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide
CID 3173742
N-(3-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide
CID 43811532
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylthiadiazole-4-carboxamide
CID 7404330
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylthiadiazole-4-carboxamide
CID 7404331
N-(4-acetamidophenyl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide
CID 1140610
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1,2-oxazole-5-carboxamide
CID 1449878
N-[(1S)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide
CID 51687295

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-pyridin-3-ylpyridine-2-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-pyridin-3-ylpyridine-2-carboxamide (CID 3205928) is N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-pyridin-3-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-pyridin-3-ylpyridine-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-pyridin-3-ylpyridine-2-carboxamide is O=C(NC1CCCCC1)C(c1cccs1)N(C(=O)c1ccccn1)c1cccnc1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-pyridin-3-ylpyridine-2-carboxamide?
The InChIKey is PSCRDURDBQMYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c28-22(26-17-8-2-1-3-9-17)21(20-12-7-15-30-20)27(18-10-6-13-24-16-18)23(29)19-11-4-5-14-25-19/h4-7,10-17,21H,1-3,8-9H2,(H,26,28).
What are the key properties of N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-pyridin-3-ylpyridine-2-carboxamide?
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-pyridin-3-ylpyridine-2-carboxamide has a molecular weight of 420.54 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-pyridin-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 3205928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).