N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide

C23H25N5O2S — CID 3219264

IUPACN-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide
SMILESCc1ccc(C)c(N(C(=O)c2csnn2)C(C(=O)NC2CCCC2)c2ccncc2)c1
InChIInChI=1S/C23H25N5O2S/c1-15-7-8-16(2)20(13-15)28(23(30)19-14-31-27-26-19)21(17-9-11-24-12-10-17)22(29)25-18-5-3-4-6-18/h7-14,18,21H,3-6H2,1-2H3,(H,25,29)
InChIKeyQNFJRVJDHAPKED-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.00
Rot. Bonds6

About N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide

N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide (PubChem CID 3219264) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide
PubChem CID3219264
Molecular FormulaC23H25N5O2S
Molecular Weight435.55 g/mol
Exact Mass435.17
IUPAC NameN-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide
SMILESCc1ccc(C)c(N(C(=O)c2csnn2)C(C(=O)NC2CCCC2)c2ccncc2)c1
InChIInChI=1S/C23H25N5O2S/c1-15-7-8-16(2)20(13-15)28(23(30)19-14-31-27-26-19)21(17-9-11-24-12-10-17)22(29)25-18-5-3-4-6-18/h7-14,18,21H,3-6H2,1-2H3,(H,25,29)
InChIKeyQNFJRVJDHAPKED-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide
CID 25410432
N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 25410205
N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide
CID 3221899
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 7404338
N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,4,6-trimethylphenyl)thiadiazole-4-carboxamide
CID 3219361
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,4,6-trimethylphenyl)thiadiazole-4-carboxamide
CID 1467656
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethylphenyl)thiadiazole-4-carboxamide
CID 40573587
N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide
CID 3222586
N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(2,4-dimethylphenyl)thiadiazole-4-carboxamide
CID 3219250
N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide
CID 3219206
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide
CID 3805319
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 3219198

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide (CID 3219264) is N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide is Cc1ccc(C)c(N(C(=O)c2csnn2)C(C(=O)NC2CCCC2)c2ccncc2)c1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide?
The InChIKey is QNFJRVJDHAPKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S/c1-15-7-8-16(2)20(13-15)28(23(30)19-14-31-27-26-19)21(17-9-11-24-12-10-17)22(29)25-18-5-3-4-6-18/h7-14,18,21H,3-6H2,1-2H3,(H,25,29).
What are the key properties of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide?
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 3219264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).