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

C18H21N3O3S — CID 109232371

IUPACN-(1,1-dioxothiolan-3-yl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCc1cccc(CNc2cncc(C(=O)NC3CCS(=O)(=O)C3)c2)c1
InChIInChI=1S/C18H21N3O3S/c1-13-3-2-4-14(7-13)9-20-17-8-15(10-19-11-17)18(22)21-16-5-6-25(23,24)12-16/h2-4,7-8,10-11,16,20H,5-6,9,12H2,1H3,(H,21,22)
InChIKeyWYAVLKOXPWSGLA-UHFFFAOYSA-N
MW359.45 g/mol
LogP1.92
Rot. Bonds5

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

N-(1,1-dioxothiolan-3-yl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide (PubChem CID 109232371) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
PubChem CID109232371
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-(1,1-dioxothiolan-3-yl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCc1cccc(CNc2cncc(C(=O)NC3CCS(=O)(=O)C3)c2)c1
InChIInChI=1S/C18H21N3O3S/c1-13-3-2-4-14(7-13)9-20-17-8-15(10-19-11-17)18(22)21-16-5-6-25(23,24)12-16/h2-4,7-8,10-11,16,20H,5-6,9,12H2,1H3,(H,21,22)
InChIKeyWYAVLKOXPWSGLA-UHFFFAOYSA-N
XLogP1.92
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-5-(3-methylanilino)pyridine-3-carboxamide
CID 109237173
N-(1,1-dioxothiolan-3-yl)-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233676
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-(benzylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109231789
N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232216
6-N-(1,1-dioxothiolan-3-yl)-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097427
N-tert-butyl-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232386
5-N-(1,1-dioxothiolan-3-yl)-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109106500
N-(1,1-dioxothiolan-3-yl)-5-(2-ethylanilino)pyridine-3-carboxamide
CID 109237184
N-(4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232401
N-cyclopropyl-3-[(3-methylphenyl)methylamino]benzamide
CID 28658973

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide (CID 109232371) is N-(1,1-dioxothiolan-3-yl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide is Cc1cccc(CNc2cncc(C(=O)NC3CCS(=O)(=O)C3)c2)c1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is WYAVLKOXPWSGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-13-3-2-4-14(7-13)9-20-17-8-15(10-19-11-17)18(22)21-16-5-6-25(23,24)12-16/h2-4,7-8,10-11,16,20H,5-6,9,12H2,1H3,(H,21,22).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109232371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).