N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide

C26H28N4O3S — CID 3211147

IUPACN-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(N(C(=O)CNC(=O)c2cccs2)C(C(=O)NC2CCCC2)c2cccnc2)cc1
InChIInChI=1S/C26H28N4O3S/c1-18-10-12-21(13-11-18)30(23(31)17-28-25(32)22-9-5-15-34-22)24(19-6-4-14-27-16-19)26(33)29-20-7-2-3-8-20/h4-6,9-16,20,24H,2-3,7-8,17H2,1H3,(H,28,32)(H,29,33)
InChIKeyZRJURCOLFPBHHV-UHFFFAOYSA-N
MW476.60 g/mol
LogP4.01
Rot. Bonds8

About N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide

N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 3211147) has the molecular formula C26H28N4O3S and a molecular weight of 476.60 g/mol. Its IUPAC name is N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID3211147
Molecular FormulaC26H28N4O3S
Molecular Weight476.60 g/mol
Exact Mass476.19
IUPAC NameN-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(N(C(=O)CNC(=O)c2cccs2)C(C(=O)NC2CCCC2)c2cccnc2)cc1
InChIInChI=1S/C26H28N4O3S/c1-18-10-12-21(13-11-18)30(23(31)17-28-25(32)22-9-5-15-34-22)24(19-6-4-14-27-16-19)26(33)29-20-7-2-3-8-20/h4-6,9-16,20,24H,2-3,7-8,17H2,1H3,(H,28,32)(H,29,33)
InChIKeyZRJURCOLFPBHHV-UHFFFAOYSA-N
XLogP4.01
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[2-[[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 3211077
N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3211053
N-[2-[[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 3211192
N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-2-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3211129
N-cyclohexyl-2-(4-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-3-ylacetamide
CID 3191129
N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide
CID 3211629
N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-methylphenyl)-1H-pyrrole-2-carboxamide
CID 155530877
N-[2-(N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 25317764
N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methylanilino)-2-pyridin-3-ylacetamide
CID 3190864
N-[2-(N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3210955
N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211640
N-[2-[[(1S)-1-(3,4-dimethoxyphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 98108716

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide (CID 3211147) is N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide is Cc1ccc(N(C(=O)CNC(=O)c2cccs2)C(C(=O)NC2CCCC2)c2cccnc2)cc1.
What is the InChIKey of N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is ZRJURCOLFPBHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3S/c1-18-10-12-21(13-11-18)30(23(31)17-28-25(32)22-9-5-15-34-22)24(19-6-4-14-27-16-19)26(33)29-20-7-2-3-8-20/h4-6,9-16,20,24H,2-3,7-8,17H2,1H3,(H,28,32)(H,29,33).
What are the key properties of N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide?
N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 476.60 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3211147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).