N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-N-cyclopentylthiadiazole-4-carboxamide

C19H25N5O2S — CID 3222430

IUPACN-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-N-cyclopentylthiadiazole-4-carboxamide
SMILESCC(C)(C)NC(=O)C(c1ccccn1)N(C(=O)c1csnn1)C1CCCC1
InChIInChI=1S/C19H25N5O2S/c1-19(2,3)21-17(25)16(14-10-6-7-11-20-14)24(13-8-4-5-9-13)18(26)15-12-27-23-22-15/h6-7,10-13,16H,4-5,8-9H2,1-3H3,(H,21,25)
InChIKeyGJSXWXJHLQMKOD-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.97
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-N-cyclopentylthiadiazole-4-carboxamide

N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-N-cyclopentylthiadiazole-4-carboxamide (PubChem CID 3222430) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-N-cyclopentylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-N-cyclopentylthiadiazole-4-carboxamide
PubChem CID3222430
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC NameN-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-N-cyclopentylthiadiazole-4-carboxamide
SMILESCC(C)(C)NC(=O)C(c1ccccn1)N(C(=O)c1csnn1)C1CCCC1
InChIInChI=1S/C19H25N5O2S/c1-19(2,3)21-17(25)16(14-10-6-7-11-20-14)24(13-8-4-5-9-13)18(26)15-12-27-23-22-15/h6-7,10-13,16H,4-5,8-9H2,1-3H3,(H,21,25)
InChIKeyGJSXWXJHLQMKOD-UHFFFAOYSA-N
XLogP2.97
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-2-(tert-butylamino)-2-oxo-1-thiophen-2-ylethyl]-N-cyclopentylthiadiazole-4-carboxamide
CID 7435095
N-cyclohexyl-N-[2-oxo-2-(2-phenylethylamino)-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide
CID 3222462
N-[(1R)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 7404533
N-[2-(tert-butylamino)-1-(2-chloro-6-fluorophenyl)-2-oxoethyl]-N-cyclopentylthiadiazole-4-carboxamide
CID 3222439
N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-6-chloro-N-cyclopentylpyridine-3-carboxamide
CID 3231056
N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide
CID 3798285
N-[(1S)-2-(tert-butylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 7098268
N-cyclopropyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide
CID 43815608
N-[(1R)-2-(tert-butylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 7404559
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide
CID 3221927
N-[(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 7435010
N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 3222363

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-N-cyclopentylthiadiazole-4-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-N-cyclopentylthiadiazole-4-carboxamide (CID 3222430) is N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-N-cyclopentylthiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-N-cyclopentylthiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-N-cyclopentylthiadiazole-4-carboxamide is CC(C)(C)NC(=O)C(c1ccccn1)N(C(=O)c1csnn1)C1CCCC1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-N-cyclopentylthiadiazole-4-carboxamide?
The InChIKey is GJSXWXJHLQMKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-19(2,3)21-17(25)16(14-10-6-7-11-20-14)24(13-8-4-5-9-13)18(26)15-12-27-23-22-15/h6-7,10-13,16H,4-5,8-9H2,1-3H3,(H,21,25).
What are the key properties of N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-N-cyclopentylthiadiazole-4-carboxamide?
N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-N-cyclopentylthiadiazole-4-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-N-cyclopentylthiadiazole-4-carboxamide is sourced from PubChem (CID 3222430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).