N-(6-fluoro-2-pyridinyl)-6-[[2-fluoro-6-(pyrrolidin-1-ylmethyl)phenyl]methylamino]-2-methylpyridine-3-sulfonamide

C23H25F2N5O2S — CID 146430448

IUPACN-(6-fluoro-2-pyridinyl)-6-[[2-fluoro-6-(pyrrolidin-1-ylmethyl)phenyl]methylamino]-2-methylpyridine-3-sulfonamide
SMILESCc1nc(NCc2c(F)cccc2CN2CCCC2)ccc1S(=O)(=O)Nc1cccc(F)n1
InChIInChI=1S/C23H25F2N5O2S/c1-16-20(33(31,32)29-23-9-5-8-21(25)28-23)10-11-22(27-16)26-14-18-17(6-4-7-19(18)24)15-30-12-2-3-13-30/h4-11H,2-3,12-15H2,1H3,(H,26,27)(H,28,29)
InChIKeyLLQMYLFLTTWSHL-UHFFFAOYSA-N
MW473.55 g/mol
LogP4.07
Rot. Bonds8

About N-(6-fluoro-2-pyridinyl)-6-[[2-fluoro-6-(pyrrolidin-1-ylmethyl)phenyl]methylamino]-2-methylpyridine-3-sulfonamide

N-(6-fluoro-2-pyridinyl)-6-[[2-fluoro-6-(pyrrolidin-1-ylmethyl)phenyl]methylamino]-2-methylpyridine-3-sulfonamide (PubChem CID 146430448) has the molecular formula C23H25F2N5O2S and a molecular weight of 473.55 g/mol. Its IUPAC name is N-(6-fluoro-2-pyridinyl)-6-[[2-fluoro-6-(pyrrolidin-1-ylmethyl)phenyl]methylamino]-2-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(6-fluoro-2-pyridinyl)-6-[[2-fluoro-6-(pyrrolidin-1-ylmethyl)phenyl]methylamino]-2-methylpyridine-3-sulfonamide
PubChem CID146430448
Molecular FormulaC23H25F2N5O2S
Molecular Weight473.55 g/mol
Exact Mass473.17
IUPAC NameN-(6-fluoro-2-pyridinyl)-6-[[2-fluoro-6-(pyrrolidin-1-ylmethyl)phenyl]methylamino]-2-methylpyridine-3-sulfonamide
SMILESCc1nc(NCc2c(F)cccc2CN2CCCC2)ccc1S(=O)(=O)Nc1cccc(F)n1
InChIInChI=1S/C23H25F2N5O2S/c1-16-20(33(31,32)29-23-9-5-8-21(25)28-23)10-11-22(27-16)26-14-18-17(6-4-7-19(18)24)15-30-12-2-3-13-30/h4-11H,2-3,12-15H2,1H3,(H,26,27)(H,28,29)
InChIKeyLLQMYLFLTTWSHL-UHFFFAOYSA-N
XLogP4.07
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2-pyridinyl)-6-[[2-fluoro-6-(pyrrolidin-1-ylmethyl)phenyl]methylamino]-2-methylpyridine-3-sulfonamide?
The IUPAC name of N-(6-fluoro-2-pyridinyl)-6-[[2-fluoro-6-(pyrrolidin-1-ylmethyl)phenyl]methylamino]-2-methylpyridine-3-sulfonamide (CID 146430448) is N-(6-fluoro-2-pyridinyl)-6-[[2-fluoro-6-(pyrrolidin-1-ylmethyl)phenyl]methylamino]-2-methylpyridine-3-sulfonamide.
What is the SMILES notation for N-(6-fluoro-2-pyridinyl)-6-[[2-fluoro-6-(pyrrolidin-1-ylmethyl)phenyl]methylamino]-2-methylpyridine-3-sulfonamide?
The canonical SMILES for N-(6-fluoro-2-pyridinyl)-6-[[2-fluoro-6-(pyrrolidin-1-ylmethyl)phenyl]methylamino]-2-methylpyridine-3-sulfonamide is Cc1nc(NCc2c(F)cccc2CN2CCCC2)ccc1S(=O)(=O)Nc1cccc(F)n1.
What is the InChIKey of N-(6-fluoro-2-pyridinyl)-6-[[2-fluoro-6-(pyrrolidin-1-ylmethyl)phenyl]methylamino]-2-methylpyridine-3-sulfonamide?
The InChIKey is LLQMYLFLTTWSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N5O2S/c1-16-20(33(31,32)29-23-9-5-8-21(25)28-23)10-11-22(27-16)26-14-18-17(6-4-7-19(18)24)15-30-12-2-3-13-30/h4-11H,2-3,12-15H2,1H3,(H,26,27)(H,28,29).
What are the key properties of N-(6-fluoro-2-pyridinyl)-6-[[2-fluoro-6-(pyrrolidin-1-ylmethyl)phenyl]methylamino]-2-methylpyridine-3-sulfonamide?
N-(6-fluoro-2-pyridinyl)-6-[[2-fluoro-6-(pyrrolidin-1-ylmethyl)phenyl]methylamino]-2-methylpyridine-3-sulfonamide has a molecular weight of 473.55 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2-pyridinyl)-6-[[2-fluoro-6-(pyrrolidin-1-ylmethyl)phenyl]methylamino]-2-methylpyridine-3-sulfonamide is sourced from PubChem (CID 146430448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).