N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide

C21H20ClN5O2S — CID 5003301

IUPACN-(3-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide
SMILESO=C(NC1CCCC1)C(c1cccnc1)N(C(=O)c1csnn1)c1cccc(Cl)c1
InChIInChI=1S/C21H20ClN5O2S/c22-15-6-3-9-17(11-15)27(21(29)18-13-30-26-25-18)19(14-5-4-10-23-12-14)20(28)24-16-7-1-2-8-16/h3-6,9-13,16,19H,1-2,7-8H2,(H,24,28)
InChIKeyARPHJMMZXQHFMJ-UHFFFAOYSA-N
MW441.94 g/mol
LogP4.03
Rot. Bonds6

About N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide

N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide (PubChem CID 5003301) has the molecular formula C21H20ClN5O2S and a molecular weight of 441.94 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide
PubChem CID5003301
Molecular FormulaC21H20ClN5O2S
Molecular Weight441.94 g/mol
Exact Mass441.10
IUPAC NameN-(3-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide
SMILESO=C(NC1CCCC1)C(c1cccnc1)N(C(=O)c1csnn1)c1cccc(Cl)c1
InChIInChI=1S/C21H20ClN5O2S/c22-15-6-3-9-17(11-15)27(21(29)18-13-30-26-25-18)19(14-5-4-10-23-12-14)20(28)24-16-7-1-2-8-16/h3-6,9-13,16,19H,1-2,7-8H2,(H,24,28)
InChIKeyARPHJMMZXQHFMJ-UHFFFAOYSA-N
XLogP4.03
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.94
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-phenylthiadiazole-4-carboxamide
CID 24792301
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide
CID 40602388
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide
CID 3805319
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide
CID 3222102
(2S)-2-(3-chloro-N-(2-chloroacetyl)anilino)-N-cyclohexyl-2-pyridin-3-ylacetamide
CID 92534555
N-(4-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
CID 3222027
N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide
CID 3219206
N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide
CID 3222586
N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide
CID 1467648
N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 3221783
N-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide
CID 1439635
N-[(1S)-2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 25410089

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide (CID 5003301) is N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide is O=C(NC1CCCC1)C(c1cccnc1)N(C(=O)c1csnn1)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide?
The InChIKey is ARPHJMMZXQHFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O2S/c22-15-6-3-9-17(11-15)27(21(29)18-13-30-26-25-18)19(14-5-4-10-23-12-14)20(28)24-16-7-1-2-8-16/h3-6,9-13,16,19H,1-2,7-8H2,(H,24,28).
What are the key properties of N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide?
N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide has a molecular weight of 441.94 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 5003301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).