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

C14H21N3O3S — CID 109181435

IUPACN-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1ccc(NC2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C14H21N3O3S/c1-3-10(2)16-14(18)13-5-4-11(8-15-13)17-12-6-7-21(19,20)9-12/h4-5,8,10,12,17H,3,6-7,9H2,1-2H3,(H,16,18)
InChIKeyWGWANLBKLAZUEL-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.21
Rot. Bonds5

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

N-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide (PubChem CID 109181435) 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-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
PubChem CID109181435
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1ccc(NC2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C14H21N3O3S/c1-3-10(2)16-14(18)13-5-4-11(8-15-13)17-12-6-7-21(19,20)9-12/h4-5,8,10,12,17H,3,6-7,9H2,1-2H3,(H,16,18)
InChIKeyWGWANLBKLAZUEL-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

5-[(1,1-dioxothiolan-3-yl)amino]-N-propan-2-ylpyridine-2-carboxamide
CID 109179484
N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
CID 109193031
5-[(1,1-dioxothiolan-3-yl)amino]-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109193159
5-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpyridine-2-carboxamide
CID 109193128
N-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109225158
6-N-butan-2-yl-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-dicarboxamide
CID 109094612
5-[(1,1-dioxothiolan-3-yl)amino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109189604
5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109193178
N-butyl-5-[(1,1-dioxothiolan-3-yl)amino]-N-methylpyridine-2-carboxamide
CID 109193135
5-[(1,1-dioxothiolan-3-yl)amino]-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190368
N-(3-chlorophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
CID 109193168
5-(cyclohexylamino)-N-propan-2-ylpyridine-2-carboxamide
CID 109179444

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide?
The IUPAC name of N-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide (CID 109181435) is N-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide is CCC(C)NC(=O)c1ccc(NC2CCS(=O)(=O)C2)cn1.
What is the InChIKey of N-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide?
The InChIKey is WGWANLBKLAZUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-3-10(2)16-14(18)13-5-4-11(8-15-13)17-12-6-7-21(19,20)9-12/h4-5,8,10,12,17H,3,6-7,9H2,1-2H3,(H,16,18).
What are the key properties of N-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide?
N-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-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-2-carboxamide is sourced from PubChem (CID 109181435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).