N-(3-methylbutyl)-5-[methyl-(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide

C19H25N3O3S — CID 50795489

IUPACN-(3-methylbutyl)-5-[methyl-(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)c2cncc(C(=O)NCCC(C)C)c2)cc1
InChIInChI=1S/C19H25N3O3S/c1-14(2)9-10-21-19(23)16-11-17(13-20-12-16)22(4)26(24,25)18-7-5-15(3)6-8-18/h5-8,11-14H,9-10H2,1-4H3,(H,21,23)
InChIKeyOFHBWDAVFKZXET-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.99
Rot. Bonds7

About N-(3-methylbutyl)-5-[methyl-(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide

N-(3-methylbutyl)-5-[methyl-(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide (PubChem CID 50795489) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-(3-methylbutyl)-5-[methyl-(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-5-[methyl-(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide
PubChem CID50795489
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-(3-methylbutyl)-5-[methyl-(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)c2cncc(C(=O)NCCC(C)C)c2)cc1
InChIInChI=1S/C19H25N3O3S/c1-14(2)9-10-21-19(23)16-11-17(13-20-12-16)22(4)26(24,25)18-7-5-15(3)6-8-18/h5-8,11-14H,9-10H2,1-4H3,(H,21,23)
InChIKeyOFHBWDAVFKZXET-UHFFFAOYSA-N
XLogP2.99
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2677261
5-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 46345791
N-[(4-fluorophenyl)methyl]-5-[methyl-(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide
CID 50795493
N-(3-aminobutyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide;hydrochloride
CID 119498678
5-[benzenesulfonyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide
CID 50795469
3-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 12064193
5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 21352689
5-N-(2-methoxyethyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide
CID 109103452
5-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 50795472
3-N-(3-methylbutyl)-5-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106107
3-N-(3-methylbutyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107123
N-butan-2-yl-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 132654284

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-5-[methyl-(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide?
The IUPAC name of N-(3-methylbutyl)-5-[methyl-(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide (CID 50795489) is N-(3-methylbutyl)-5-[methyl-(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-5-[methyl-(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-5-[methyl-(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide is Cc1ccc(S(=O)(=O)N(C)c2cncc(C(=O)NCCC(C)C)c2)cc1.
What is the InChIKey of N-(3-methylbutyl)-5-[methyl-(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide?
The InChIKey is OFHBWDAVFKZXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-14(2)9-10-21-19(23)16-11-17(13-20-12-16)22(4)26(24,25)18-7-5-15(3)6-8-18/h5-8,11-14H,9-10H2,1-4H3,(H,21,23).
What are the key properties of N-(3-methylbutyl)-5-[methyl-(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide?
N-(3-methylbutyl)-5-[methyl-(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide has a molecular weight of 375.49 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-5-[methyl-(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide is sourced from PubChem (CID 50795489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).