N-butyl-5-[(1,1-dioxothiolan-3-yl)amino]-N-methylpyridine-2-carboxamide

C15H23N3O3S — CID 109193135

IUPACN-butyl-5-[(1,1-dioxothiolan-3-yl)amino]-N-methylpyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(NC2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C15H23N3O3S/c1-3-4-8-18(2)15(19)14-6-5-12(10-16-14)17-13-7-9-22(20,21)11-13/h5-6,10,13,17H,3-4,7-9,11H2,1-2H3
InChIKeyBUHFERUOINIKIR-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.55
Rot. Bonds6

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

N-butyl-5-[(1,1-dioxothiolan-3-yl)amino]-N-methylpyridine-2-carboxamide (PubChem CID 109193135) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-butyl-5-[(1,1-dioxothiolan-3-yl)amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-[(1,1-dioxothiolan-3-yl)amino]-N-methylpyridine-2-carboxamide
PubChem CID109193135
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-butyl-5-[(1,1-dioxothiolan-3-yl)amino]-N-methylpyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(NC2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C15H23N3O3S/c1-3-4-8-18(2)15(19)14-6-5-12(10-16-14)17-13-7-9-22(20,21)11-13/h5-6,10,13,17H,3-4,7-9,11H2,1-2H3
InChIKeyBUHFERUOINIKIR-UHFFFAOYSA-N
XLogP1.55
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-5-(cycloheptylamino)-N-methylpyridine-2-carboxamide
CID 109195352
5-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpyridine-2-carboxamide
CID 109193128
N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
CID 109193031
N-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
CID 109181435
5-[(1,1-dioxothiolan-3-yl)amino]-N-propan-2-ylpyridine-2-carboxamide
CID 109179484
N-(1,1-dioxothiolan-3-yl)-5-(ethylamino)-N-methylpyridine-2-carboxamide
CID 104640345
5-[(1,1-dioxothiolan-3-yl)amino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109189604
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-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190368
N-butyl-N-methyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191631
5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109193178
N-[3-(dimethylamino)propyl]-5-(ethylamino)-N-methylpyridine-2-carboxamide
CID 104641378

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-[(1,1-dioxothiolan-3-yl)amino]-N-methylpyridine-2-carboxamide?
The IUPAC name of N-butyl-5-[(1,1-dioxothiolan-3-yl)amino]-N-methylpyridine-2-carboxamide (CID 109193135) is N-butyl-5-[(1,1-dioxothiolan-3-yl)amino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-butyl-5-[(1,1-dioxothiolan-3-yl)amino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-butyl-5-[(1,1-dioxothiolan-3-yl)amino]-N-methylpyridine-2-carboxamide is CCCCN(C)C(=O)c1ccc(NC2CCS(=O)(=O)C2)cn1.
What is the InChIKey of N-butyl-5-[(1,1-dioxothiolan-3-yl)amino]-N-methylpyridine-2-carboxamide?
The InChIKey is BUHFERUOINIKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-3-4-8-18(2)15(19)14-6-5-12(10-16-14)17-13-7-9-22(20,21)11-13/h5-6,10,13,17H,3-4,7-9,11H2,1-2H3.
What are the key properties of N-butyl-5-[(1,1-dioxothiolan-3-yl)amino]-N-methylpyridine-2-carboxamide?
N-butyl-5-[(1,1-dioxothiolan-3-yl)amino]-N-methylpyridine-2-carboxamide has a molecular weight of 325.43 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-[(1,1-dioxothiolan-3-yl)amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 109193135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).