N-(6-fluoro-2-pyridinyl)-5-methyl-6-[methyl-[1-[(1R)-1-phenylethyl]piperidin-4-yl]amino]pyridine-3-sulfonamide

C25H30FN5O2S — CID 146421695

IUPACN-(6-fluoro-2-pyridinyl)-5-methyl-6-[methyl-[1-[(1R)-1-phenylethyl]piperidin-4-yl]amino]pyridine-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(F)n2)cnc1N(C)C1CCN([C@H](C)c2ccccc2)CC1
InChIInChI=1S/C25H30FN5O2S/c1-18-16-22(34(32,33)29-24-11-7-10-23(26)28-24)17-27-25(18)30(3)21-12-14-31(15-13-21)19(2)20-8-5-4-6-9-20/h4-11,16-17,19,21H,12-15H2,1-3H3,(H,28,29)/t19-/m1/s1
InChIKeySZEOVDXXHHINCC-LJQANCHMSA-N
MW483.61 g/mol
LogP4.39
Rot. Bonds7

About N-(6-fluoro-2-pyridinyl)-5-methyl-6-[methyl-[1-[(1R)-1-phenylethyl]piperidin-4-yl]amino]pyridine-3-sulfonamide

N-(6-fluoro-2-pyridinyl)-5-methyl-6-[methyl-[1-[(1R)-1-phenylethyl]piperidin-4-yl]amino]pyridine-3-sulfonamide (PubChem CID 146421695) has the molecular formula C25H30FN5O2S and a molecular weight of 483.61 g/mol. Its IUPAC name is N-(6-fluoro-2-pyridinyl)-5-methyl-6-[methyl-[1-[(1R)-1-phenylethyl]piperidin-4-yl]amino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(6-fluoro-2-pyridinyl)-5-methyl-6-[methyl-[1-[(1R)-1-phenylethyl]piperidin-4-yl]amino]pyridine-3-sulfonamide
PubChem CID146421695
Molecular FormulaC25H30FN5O2S
Molecular Weight483.61 g/mol
Exact Mass483.21
IUPAC NameN-(6-fluoro-2-pyridinyl)-5-methyl-6-[methyl-[1-[(1R)-1-phenylethyl]piperidin-4-yl]amino]pyridine-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(F)n2)cnc1N(C)C1CCN([C@H](C)c2ccccc2)CC1
InChIInChI=1S/C25H30FN5O2S/c1-18-16-22(34(32,33)29-24-11-7-10-23(26)28-24)17-27-25(18)30(3)21-12-14-31(15-13-21)19(2)20-8-5-4-6-9-20/h4-11,16-17,19,21H,12-15H2,1-3H3,(H,28,29)/t19-/m1/s1
InChIKeySZEOVDXXHHINCC-LJQANCHMSA-N
XLogP4.39
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 54.39
H-Bond Donors ≤ 51
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)-5-methyl-6-[methyl-[1-[(1R)-1-phenylethyl]piperidin-4-yl]amino]pyridine-3-sulfonamide?
The IUPAC name of N-(6-fluoro-2-pyridinyl)-5-methyl-6-[methyl-[1-[(1R)-1-phenylethyl]piperidin-4-yl]amino]pyridine-3-sulfonamide (CID 146421695) is N-(6-fluoro-2-pyridinyl)-5-methyl-6-[methyl-[1-[(1R)-1-phenylethyl]piperidin-4-yl]amino]pyridine-3-sulfonamide.
What is the SMILES notation for N-(6-fluoro-2-pyridinyl)-5-methyl-6-[methyl-[1-[(1R)-1-phenylethyl]piperidin-4-yl]amino]pyridine-3-sulfonamide?
The canonical SMILES for N-(6-fluoro-2-pyridinyl)-5-methyl-6-[methyl-[1-[(1R)-1-phenylethyl]piperidin-4-yl]amino]pyridine-3-sulfonamide is Cc1cc(S(=O)(=O)Nc2cccc(F)n2)cnc1N(C)C1CCN([C@H](C)c2ccccc2)CC1.
What is the InChIKey of N-(6-fluoro-2-pyridinyl)-5-methyl-6-[methyl-[1-[(1R)-1-phenylethyl]piperidin-4-yl]amino]pyridine-3-sulfonamide?
The InChIKey is SZEOVDXXHHINCC-LJQANCHMSA-N. The full InChI is InChI=1S/C25H30FN5O2S/c1-18-16-22(34(32,33)29-24-11-7-10-23(26)28-24)17-27-25(18)30(3)21-12-14-31(15-13-21)19(2)20-8-5-4-6-9-20/h4-11,16-17,19,21H,12-15H2,1-3H3,(H,28,29)/t19-/m1/s1.
What are the key properties of N-(6-fluoro-2-pyridinyl)-5-methyl-6-[methyl-[1-[(1R)-1-phenylethyl]piperidin-4-yl]amino]pyridine-3-sulfonamide?
N-(6-fluoro-2-pyridinyl)-5-methyl-6-[methyl-[1-[(1R)-1-phenylethyl]piperidin-4-yl]amino]pyridine-3-sulfonamide has a molecular weight of 483.61 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2-pyridinyl)-5-methyl-6-[methyl-[1-[(1R)-1-phenylethyl]piperidin-4-yl]amino]pyridine-3-sulfonamide is sourced from PubChem (CID 146421695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).