4-(cyclopentylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide

C16H23N3O3S — CID 109204215

IUPAC4-(cyclopentylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1cc(NC2CCCC2)ccn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H23N3O3S/c1-19(14-7-9-23(21,22)11-14)16(20)15-10-13(6-8-17-15)18-12-4-2-3-5-12/h6,8,10,12,14H,2-5,7,9,11H2,1H3,(H,17,18)
InChIKeyWFZPGSDDJRWLKK-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.70
Rot. Bonds4

About 4-(cyclopentylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide

4-(cyclopentylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide (PubChem CID 109204215) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 4-(cyclopentylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(cyclopentylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
PubChem CID109204215
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name4-(cyclopentylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1cc(NC2CCCC2)ccn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H23N3O3S/c1-19(14-7-9-23(21,22)11-14)16(20)15-10-13(6-8-17-15)18-12-4-2-3-5-12/h6,8,10,12,14H,2-5,7,9,11H2,1H3,(H,17,18)
InChIKeyWFZPGSDDJRWLKK-UHFFFAOYSA-N
XLogP1.70
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethylamino)-N-methylpyridine-2-carboxamide
CID 109205878
4-(3-chloro-4-fluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
CID 109215038
2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078058
N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109214999
4-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
CID 109209169
4-N-tert-butyl-2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,4-dicarboxamide
CID 109088408
4-(azepane-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
CID 109088416
N-cycloheptyl-4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62236519
N,N-dimethyl-4-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carboxamide
CID 79110565
4-[(1,1-dioxothian-3-yl)amino]pyridine-2-carboxamide
CID 63923173
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109309366
N-(1,1-dioxothiolan-3-yl)-5-(ethylamino)-N-methylpyridine-2-carboxamide
CID 104640345

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-(cyclopentylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide (CID 109204215) is 4-(cyclopentylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-(cyclopentylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-(cyclopentylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide is CN(C(=O)c1cc(NC2CCCC2)ccn1)C1CCS(=O)(=O)C1.
What is the InChIKey of 4-(cyclopentylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide?
The InChIKey is WFZPGSDDJRWLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-19(14-7-9-23(21,22)11-14)16(20)15-10-13(6-8-17-15)18-12-4-2-3-5-12/h6,8,10,12,14H,2-5,7,9,11H2,1H3,(H,17,18).
What are the key properties of 4-(cyclopentylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide?
4-(cyclopentylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 109204215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).