6-[[2-(2-fluorophenyl)-4-(methylaminomethyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methylamino]pyridine-3-carbonitrile

C24H21FN6O2S — CID 154703208

IUPAC6-[[2-(2-fluorophenyl)-4-(methylaminomethyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methylamino]pyridine-3-carbonitrile
SMILESCNCc1cn(S(=O)(=O)c2cccnc2)c(-c2ccccc2F)c1CNc1ccc(C#N)cn1
InChIInChI=1S/C24H21FN6O2S/c1-27-13-18-16-31(34(32,33)19-5-4-10-28-14-19)24(20-6-2-3-7-22(20)25)21(18)15-30-23-9-8-17(11-26)12-29-23/h2-10,12,14,16,27H,13,15H2,1H3,(H,29,30)
InChIKeyHGFZBRLZGVKIOT-UHFFFAOYSA-N
MW476.54 g/mol
LogP3.52
Rot. Bonds8

About 6-[[2-(2-fluorophenyl)-4-(methylaminomethyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methylamino]pyridine-3-carbonitrile

6-[[2-(2-fluorophenyl)-4-(methylaminomethyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methylamino]pyridine-3-carbonitrile (PubChem CID 154703208) has the molecular formula C24H21FN6O2S and a molecular weight of 476.54 g/mol. Its IUPAC name is 6-[[2-(2-fluorophenyl)-4-(methylaminomethyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[2-(2-fluorophenyl)-4-(methylaminomethyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methylamino]pyridine-3-carbonitrile
PubChem CID154703208
Molecular FormulaC24H21FN6O2S
Molecular Weight476.54 g/mol
Exact Mass476.14
IUPAC Name6-[[2-(2-fluorophenyl)-4-(methylaminomethyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methylamino]pyridine-3-carbonitrile
SMILESCNCc1cn(S(=O)(=O)c2cccnc2)c(-c2ccccc2F)c1CNc1ccc(C#N)cn1
InChIInChI=1S/C24H21FN6O2S/c1-27-13-18-16-31(34(32,33)19-5-4-10-28-14-19)24(20-6-2-3-7-22(20)25)21(18)15-30-23-9-8-17(11-26)12-29-23/h2-10,12,14,16,27H,13,15H2,1H3,(H,29,30)
InChIKeyHGFZBRLZGVKIOT-UHFFFAOYSA-N
XLogP3.52
TPSA112.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-[[3-fluoro-2-[4-(methylaminomethyl)-1-pyridin-3-ylsulfonylpyrrol-2-yl]phenyl]methylamino]pyridine-3-carbonitrile
CID 154705426
6-(ethylamino)-5-[[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methylamino]pyridine-3-carbonitrile
CID 154726341
5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrole-3-carbonitrile
CID 141403376
1-[5-(2-fluorophenyl)-4-methoxy-1-[(2-methyl-3-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine
CID 162533199
3-[2-(2-chloro-3-pyridinyl)-3-fluoro-4-(methylaminomethyl)pyrrol-1-yl]sulfonylbenzonitrile
CID 86624012
but-2-enedioic acid;1-[5-(2-chloro-3-pyridinyl)-4-fluoro-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine
CID 173069166
[4-cyclopropyl-5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanol
CID 178134549
1-[5-(2,5-difluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine
CID 66925096
6-[2-(2-fluorophenyl)ethylamino]pyridine-3-carbonitrile
CID 24694772
1-[5-(2,4-difluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine;dihydrochloride
CID 66925105
1-[4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine
CID 178134547
2-[[(5-cyano-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 30041228

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2-fluorophenyl)-4-(methylaminomethyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[2-(2-fluorophenyl)-4-(methylaminomethyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methylamino]pyridine-3-carbonitrile (CID 154703208) is 6-[[2-(2-fluorophenyl)-4-(methylaminomethyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[2-(2-fluorophenyl)-4-(methylaminomethyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[2-(2-fluorophenyl)-4-(methylaminomethyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methylamino]pyridine-3-carbonitrile is CNCc1cn(S(=O)(=O)c2cccnc2)c(-c2ccccc2F)c1CNc1ccc(C#N)cn1.
What is the InChIKey of 6-[[2-(2-fluorophenyl)-4-(methylaminomethyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methylamino]pyridine-3-carbonitrile?
The InChIKey is HGFZBRLZGVKIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O2S/c1-27-13-18-16-31(34(32,33)19-5-4-10-28-14-19)24(20-6-2-3-7-22(20)25)21(18)15-30-23-9-8-17(11-26)12-29-23/h2-10,12,14,16,27H,13,15H2,1H3,(H,29,30).
What are the key properties of 6-[[2-(2-fluorophenyl)-4-(methylaminomethyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methylamino]pyridine-3-carbonitrile?
6-[[2-(2-fluorophenyl)-4-(methylaminomethyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methylamino]pyridine-3-carbonitrile has a molecular weight of 476.54 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2-fluorophenyl)-4-(methylaminomethyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 154703208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).