N-(3-acetylphenyl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide

C19H21N3O4S — CID 109193326

IUPACN-(3-acetylphenyl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(N(C)C3CCS(=O)(=O)C3)cn2)c1
InChIInChI=1S/C19H21N3O4S/c1-13(23)14-4-3-5-15(10-14)21-19(24)18-7-6-16(11-20-18)22(2)17-8-9-27(25,26)12-17/h3-7,10-11,17H,8-9,12H2,1-2H3,(H,21,24)
InChIKeyMXAROHNBTRCUQZ-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.16
Rot. Bonds5

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

N-(3-acetylphenyl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide (PubChem CID 109193326) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide
PubChem CID109193326
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-(3-acetylphenyl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(N(C)C3CCS(=O)(=O)C3)cn2)c1
InChIInChI=1S/C19H21N3O4S/c1-13(23)14-4-3-5-15(10-14)21-19(24)18-7-6-16(11-20-18)22(2)17-8-9-27(25,26)12-17/h3-7,10-11,17H,8-9,12H2,1-2H3,(H,21,24)
InChIKeyMXAROHNBTRCUQZ-UHFFFAOYSA-N
XLogP2.16
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109193321
N-(3-chloro-4-methylphenyl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide
CID 109193318
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109193310
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-ethyl-6-methylphenyl)pyridine-2-carboxamide
CID 109193306
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-phenylpyrazine-2-carboxamide
CID 109285400
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183862
1-[3-[[3-[(1,1-dioxothiolan-3-yl)-methylamino]-1,2,4-triazin-5-yl]amino]phenyl]ethanone
CID 112955274
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-pentylpyridine-2-carboxamide
CID 109193284
N-(4-acetylphenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]pyrimidine-4-carboxamide
CID 109309337
N-(4-acetylphenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]pyrimidine-5-carboxamide
CID 109261044
N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-3-fluorobenzamide
CID 112983863
3-chloro-N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]benzamide
CID 113013695

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide (CID 109193326) is N-(3-acetylphenyl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide is CC(=O)c1cccc(NC(=O)c2ccc(N(C)C3CCS(=O)(=O)C3)cn2)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide?
The InChIKey is MXAROHNBTRCUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-13(23)14-4-3-5-15(10-14)21-19(24)18-7-6-16(11-20-18)22(2)17-8-9-27(25,26)12-17/h3-7,10-11,17H,8-9,12H2,1-2H3,(H,21,24).
What are the key properties of N-(3-acetylphenyl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide?
N-(3-acetylphenyl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109193326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).