4-[(1,1-dioxothiolan-3-yl)amino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide

C18H21N3O3S — CID 109210417

IUPAC4-[(1,1-dioxothiolan-3-yl)amino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(NC3CCS(=O)(=O)C3)ccn2)cc1
InChIInChI=1S/C18H21N3O3S/c1-13-2-4-14(5-3-13)11-20-18(22)17-10-15(6-8-19-17)21-16-7-9-25(23,24)12-16/h2-6,8,10,16H,7,9,11-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyVSZJPUQZLLECPQ-UHFFFAOYSA-N
MW359.45 g/mol
LogP1.92
Rot. Bonds5

About 4-[(1,1-dioxothiolan-3-yl)amino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide

4-[(1,1-dioxothiolan-3-yl)amino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109210417) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 4-[(1,1-dioxothiolan-3-yl)amino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(1,1-dioxothiolan-3-yl)amino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
PubChem CID109210417
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name4-[(1,1-dioxothiolan-3-yl)amino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(NC3CCS(=O)(=O)C3)ccn2)cc1
InChIInChI=1S/C18H21N3O3S/c1-13-2-4-14(5-3-13)11-20-18(22)17-10-15(6-8-19-17)21-16-7-9-25(23,24)12-16/h2-6,8,10,16H,7,9,11-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyVSZJPUQZLLECPQ-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

Analyze 4-[(1,1-dioxothiolan-3-yl)amino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide with MolForge

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Related Compounds

4-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109201906
N-[(4-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide
CID 109201908
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-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190368
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304598
6-[(1,1-dioxothiolan-3-yl)amino]-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348391
N-benzyl-4-[[(3R)-1,1-dioxothiolan-3-yl]methylamino]pyridine-2-carboxamide
CID 97316430
3-N-(1,1-dioxothiolan-3-yl)-1-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054366
6-[(1,1-dioxothiolan-3-yl)amino]-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369864
4-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109214961
N-cyclopropyl-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109201706
N-benzyl-2-[(1,1-dioxothiolan-3-yl)amino]-6-methylpyrimidine-4-carboxamide
CID 109327230

Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-dioxothiolan-3-yl)amino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-[(1,1-dioxothiolan-3-yl)amino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide (CID 109210417) is 4-[(1,1-dioxothiolan-3-yl)amino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(1,1-dioxothiolan-3-yl)amino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[(1,1-dioxothiolan-3-yl)amino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide is Cc1ccc(CNC(=O)c2cc(NC3CCS(=O)(=O)C3)ccn2)cc1.
What is the InChIKey of 4-[(1,1-dioxothiolan-3-yl)amino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is VSZJPUQZLLECPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-13-2-4-14(5-3-13)11-20-18(22)17-10-15(6-8-19-17)21-16-7-9-25(23,24)12-16/h2-6,8,10,16H,7,9,11-12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 4-[(1,1-dioxothiolan-3-yl)amino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide?
4-[(1,1-dioxothiolan-3-yl)amino]-N-[(4-methylphenyl)methyl]pyridine-2-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 4-[(1,1-dioxothiolan-3-yl)amino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109210417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).