N-[(4-methoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxamide

C21H21N3O4S — CID 20910480

IUPACN-[(4-methoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccn2)cc1
InChIInChI=1S/C21H21N3O4S/c1-15-3-9-19(10-4-15)29(26,27)24-17-11-12-22-20(13-17)21(25)23-14-16-5-7-18(28-2)8-6-16/h3-13H,14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyMXIBUEGWBNCMDF-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.13
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxamide

N-[(4-methoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxamide (PubChem CID 20910480) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxamide
PubChem CID20910480
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccn2)cc1
InChIInChI=1S/C21H21N3O4S/c1-15-3-9-19(10-4-15)29(26,27)24-17-11-12-22-20(13-17)21(25)23-14-16-5-7-18(28-2)8-6-16/h3-13H,14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyMXIBUEGWBNCMDF-UHFFFAOYSA-N
XLogP3.13
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-4-methylpyridine-2-carboxamide
CID 110851612
4-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212181
N-[(4-methoxyphenyl)methyl]-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210281
4-(2,6-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212185
N-[(4-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 42109088
4-[(4-chlorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211857
N-[(4-methoxyphenyl)methyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062773
4-(butan-2-ylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109203453
4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 7802633
4-(4-acetylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212220
N-benzyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109209636
4-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212227

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxamide (CID 20910480) is N-[(4-methoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxamide is COc1ccc(CNC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccn2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxamide?
The InChIKey is MXIBUEGWBNCMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-15-3-9-19(10-4-15)29(26,27)24-17-11-12-22-20(13-17)21(25)23-14-16-5-7-18(28-2)8-6-16/h3-13H,14H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxamide?
N-[(4-methoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxamide has a molecular weight of 411.48 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxamide is sourced from PubChem (CID 20910480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).