6-(dimethylamino)-N-[[3-(methanesulfonamido)phenyl]methyl]pyridine-3-carboxamide

C16H20N4O3S — CID 32536301

IUPAC6-(dimethylamino)-N-[[3-(methanesulfonamido)phenyl]methyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)NCc2cccc(NS(C)(=O)=O)c2)cn1
InChIInChI=1S/C16H20N4O3S/c1-20(2)15-8-7-13(11-17-15)16(21)18-10-12-5-4-6-14(9-12)19-24(3,22)23/h4-9,11,19H,10H2,1-3H3,(H,18,21)
InChIKeyRSYCFGAOOOIOET-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.45
Rot. Bonds6

About 6-(dimethylamino)-N-[[3-(methanesulfonamido)phenyl]methyl]pyridine-3-carboxamide

6-(dimethylamino)-N-[[3-(methanesulfonamido)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 32536301) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 6-(dimethylamino)-N-[[3-(methanesulfonamido)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-[[3-(methanesulfonamido)phenyl]methyl]pyridine-3-carboxamide
PubChem CID32536301
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name6-(dimethylamino)-N-[[3-(methanesulfonamido)phenyl]methyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)NCc2cccc(NS(C)(=O)=O)c2)cn1
InChIInChI=1S/C16H20N4O3S/c1-20(2)15-8-7-13(11-17-15)16(21)18-10-12-5-4-6-14(9-12)19-24(3,22)23/h4-9,11,19H,10H2,1-3H3,(H,18,21)
InChIKeyRSYCFGAOOOIOET-UHFFFAOYSA-N
XLogP1.45
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(dimethylamino)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 37273166
N-[[3-(methanesulfonamido)phenyl]methyl]-5-methylpyrazine-2-carboxamide
CID 46533069
2,6-difluoro-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide
CID 32535953
6-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 39471295
2-(4-bromobenzoyl)-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide
CID 32535159
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-(methanesulfonamido)benzamide
CID 41479014
N-[3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55852480
(2R)-2-amino-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide
CID 119277174
N-[(3,4-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 38001059
methyl 4-[[3-(methanesulfonamido)phenyl]methylcarbamoylamino]benzoate
CID 47039865
1-cyclopropyl-N-[[3-(methanesulfonamido)phenyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 43065423
5-chloro-2-iodo-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide
CID 46453145

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-[[3-(methanesulfonamido)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(dimethylamino)-N-[[3-(methanesulfonamido)phenyl]methyl]pyridine-3-carboxamide (CID 32536301) is 6-(dimethylamino)-N-[[3-(methanesulfonamido)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-N-[[3-(methanesulfonamido)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(dimethylamino)-N-[[3-(methanesulfonamido)phenyl]methyl]pyridine-3-carboxamide is CN(C)c1ccc(C(=O)NCc2cccc(NS(C)(=O)=O)c2)cn1.
What is the InChIKey of 6-(dimethylamino)-N-[[3-(methanesulfonamido)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is RSYCFGAOOOIOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-20(2)15-8-7-13(11-17-15)16(21)18-10-12-5-4-6-14(9-12)19-24(3,22)23/h4-9,11,19H,10H2,1-3H3,(H,18,21).
What are the key properties of 6-(dimethylamino)-N-[[3-(methanesulfonamido)phenyl]methyl]pyridine-3-carboxamide?
6-(dimethylamino)-N-[[3-(methanesulfonamido)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-[[3-(methanesulfonamido)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 32536301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).