2-[(dimethylcarbamoylamino)methyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide

C18H22N4O4S — CID 112522300

IUPAC2-[(dimethylcarbamoylamino)methyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide
SMILESCN(C)C(=O)NCc1cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)ccn1
InChIInChI=1S/C18H22N4O4S/c1-22(2)18(24)21-12-15-10-14(8-9-19-15)17(23)20-11-13-4-6-16(7-5-13)27(3,25)26/h4-10H,11-12H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyQQUCUEQDMXXGDG-UHFFFAOYSA-N
MW390.47 g/mol
LogP1.19
Rot. Bonds6

About 2-[(dimethylcarbamoylamino)methyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide

2-[(dimethylcarbamoylamino)methyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide (PubChem CID 112522300) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is 2-[(dimethylcarbamoylamino)methyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(dimethylcarbamoylamino)methyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide
PubChem CID112522300
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC Name2-[(dimethylcarbamoylamino)methyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide
SMILESCN(C)C(=O)NCc1cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)ccn1
InChIInChI=1S/C18H22N4O4S/c1-22(2)18(24)21-12-15-10-14(8-9-19-15)17(23)20-11-13-4-6-16(7-5-13)27(3,25)26/h4-10H,11-12H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyQQUCUEQDMXXGDG-UHFFFAOYSA-N
XLogP1.19
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide
CID 112522065
N-[2-(dimethylamino)ethyl]-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide
CID 112520177
2-[(dimethylcarbamoylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 112529514
2-[(dimethylcarbamoylamino)methyl]-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide
CID 112524647
2-[(dimethylcarbamoylamino)methyl]-N-(2-methylphenyl)pyridine-4-carboxamide
CID 112520469
2-[(dimethylcarbamoylamino)methyl]-N-(5-methyl-1H-pyrazol-4-yl)pyridine-4-carboxamide
CID 112521754
3,4-difluoro-N-[(4-methylsulfonylphenyl)methyl]benzamide
CID 110784508
N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103764055
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methylsulfonylbenzamide
CID 55846283
2-[(dimethylcarbamoylamino)methyl]-N-(2-ethoxyphenyl)pyridine-4-carboxamide
CID 112522687
methyl 2-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxylate
CID 66732080
N-[(4-aminophenyl)methyl]-4-methylsulfonylbenzamide
CID 60892970

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylcarbamoylamino)methyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-[(dimethylcarbamoylamino)methyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide (CID 112522300) is 2-[(dimethylcarbamoylamino)methyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[(dimethylcarbamoylamino)methyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[(dimethylcarbamoylamino)methyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide is CN(C)C(=O)NCc1cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)ccn1.
What is the InChIKey of 2-[(dimethylcarbamoylamino)methyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is QQUCUEQDMXXGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-22(2)18(24)21-12-15-10-14(8-9-19-15)17(23)20-11-13-4-6-16(7-5-13)27(3,25)26/h4-10H,11-12H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of 2-[(dimethylcarbamoylamino)methyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide?
2-[(dimethylcarbamoylamino)methyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylcarbamoylamino)methyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 112522300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).