N-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide

C14H21N3O3S — CID 109225158

IUPACN-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C14H21N3O3S/c1-3-10(2)16-14(18)11-6-13(8-15-7-11)17-12-4-5-21(19,20)9-12/h6-8,10,12,17H,3-5,9H2,1-2H3,(H,16,18)
InChIKeyHLSWERRIAFKNFN-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.21
Rot. Bonds5

About N-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide

N-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide (PubChem CID 109225158) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
PubChem CID109225158
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C14H21N3O3S/c1-3-10(2)16-14(18)11-6-13(8-15-7-11)17-12-4-5-21(19,20)9-12/h6-8,10,12,17H,3-5,9H2,1-2H3,(H,16,18)
InChIKeyHLSWERRIAFKNFN-UHFFFAOYSA-N
XLogP1.21
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
CID 109181435
N-(3,5-dimethylphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109237272
N-(1,1-dioxothiolan-3-yl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109224965
N-(1,1-dioxothiolan-3-yl)-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109237163
5-[(1,1-dioxothiolan-3-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109236844
N-butan-2-yl-5-(tert-butylamino)pyridine-3-carboxamide
CID 109225186
N-butan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109225219
N-(2-chloro-4,6-dimethylphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109237296
5-N-(1,1-dioxothiolan-3-yl)-3-N-methylpyridine-3,5-diamine
CID 104532676
5-[(1,1-dioxothiolan-3-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109236584
5-(cycloheptylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223234
5-N-butan-2-yl-3-N-cycloheptylpyridine-3,5-dicarboxamide
CID 109102356

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide?
The IUPAC name of N-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide (CID 109225158) is N-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide is CCC(C)NC(=O)c1cncc(NC2CCS(=O)(=O)C2)c1.
What is the InChIKey of N-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide?
The InChIKey is HLSWERRIAFKNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-3-10(2)16-14(18)11-6-13(8-15-7-11)17-12-4-5-21(19,20)9-12/h6-8,10,12,17H,3-5,9H2,1-2H3,(H,16,18).
What are the key properties of N-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide?
N-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 109225158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).