4-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide

C13H16N4O2S — CID 114957462

IUPAC4-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
SMILESCNc1ccncc1S(=O)(=O)NCc1cnccc1C
InChIInChI=1S/C13H16N4O2S/c1-10-3-5-15-7-11(10)8-17-20(18,19)13-9-16-6-4-12(13)14-2/h3-7,9,17H,8H2,1-2H3,(H,14,16)
InChIKeyUYEJMEVQFHPAKV-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.31
Rot. Bonds5

About 4-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide

4-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide (PubChem CID 114957462) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
PubChem CID114957462
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name4-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
SMILESCNc1ccncc1S(=O)(=O)NCc1cnccc1C
InChIInChI=1S/C13H16N4O2S/c1-10-3-5-15-7-11(10)8-17-20(18,19)13-9-16-6-4-12(13)14-2/h3-7,9,17H,8H2,1-2H3,(H,14,16)
InChIKeyUYEJMEVQFHPAKV-UHFFFAOYSA-N
XLogP1.31
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114957452
6-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114957445
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methylamino)pyridine-3-sulfonamide
CID 79238403
N-[(5-ethylthiophen-2-yl)methyl]-4-(methylamino)pyridine-3-sulfonamide
CID 106015015
3-amino-2-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954460
N-(2,3-dimethylbutyl)-4-(methylamino)pyridine-3-sulfonamide
CID 64582352
4-amino-2-chloro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954417
2-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114957448
2-amino-5-bromo-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954439
2-cyano-3-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114956176
4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954391
2-chloro-5-cyano-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114956174

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 4-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide (CID 114957462) is 4-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 4-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 4-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide is CNc1ccncc1S(=O)(=O)NCc1cnccc1C.
What is the InChIKey of 4-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide?
The InChIKey is UYEJMEVQFHPAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-10-3-5-15-7-11(10)8-17-20(18,19)13-9-16-6-4-12(13)14-2/h3-7,9,17H,8H2,1-2H3,(H,14,16).
What are the key properties of 4-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide?
4-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 114957462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).