5-fluoro-N-[4-fluoro-3-[(3-imino-2-methylhexan-2-yl)sulfonylmethyl]phenyl]pyridine-2-carboxamide

C20H23F2N3O3S — CID 144651865

IUPAC5-fluoro-N-[4-fluoro-3-[(3-imino-2-methylhexan-2-yl)sulfonylmethyl]phenyl]pyridine-2-carboxamide
SMILES[H]/N=C(\CCC)C(C)(C)S(=O)(=O)Cc1cc(NC(=O)c2ccc(F)cn2)ccc1F
InChIInChI=1S/C20H23F2N3O3S/c1-4-5-18(23)20(2,3)29(27,28)12-13-10-15(7-8-16(13)22)25-19(26)17-9-6-14(21)11-24-17/h6-11,23H,4-5,12H2,1-3H3,(H,25,26)/b23-18+
InChIKeySXOTZHNZWDRRGS-PTGBLXJZSA-N
MW423.49 g/mol
LogP4.13
Rot. Bonds8

About 5-fluoro-N-[4-fluoro-3-[(3-imino-2-methylhexan-2-yl)sulfonylmethyl]phenyl]pyridine-2-carboxamide

5-fluoro-N-[4-fluoro-3-[(3-imino-2-methylhexan-2-yl)sulfonylmethyl]phenyl]pyridine-2-carboxamide (PubChem CID 144651865) has the molecular formula C20H23F2N3O3S and a molecular weight of 423.49 g/mol. Its IUPAC name is 5-fluoro-N-[4-fluoro-3-[(3-imino-2-methylhexan-2-yl)sulfonylmethyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[4-fluoro-3-[(3-imino-2-methylhexan-2-yl)sulfonylmethyl]phenyl]pyridine-2-carboxamide
PubChem CID144651865
Molecular FormulaC20H23F2N3O3S
Molecular Weight423.49 g/mol
Exact Mass423.14
IUPAC Name5-fluoro-N-[4-fluoro-3-[(3-imino-2-methylhexan-2-yl)sulfonylmethyl]phenyl]pyridine-2-carboxamide
SMILES[H]/N=C(\CCC)C(C)(C)S(=O)(=O)Cc1cc(NC(=O)c2ccc(F)cn2)ccc1F
InChIInChI=1S/C20H23F2N3O3S/c1-4-5-18(23)20(2,3)29(27,28)12-13-10-15(7-8-16(13)22)25-19(26)17-9-6-14(21)11-24-17/h6-11,23H,4-5,12H2,1-3H3,(H,25,26)/b23-18+
InChIKeySXOTZHNZWDRRGS-PTGBLXJZSA-N
XLogP4.13
TPSA99.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-fluoro-3-[(3-imino-2-methylhexan-2-yl)sulfonylmethyl]phenyl]-5-methoxypyridine-2-carboxamide
CID 144651879
ethane;5-fluoro-N-[4-fluoro-3-[1-(3-imino-2-methylhexan-2-yl)sulfonylethyl]phenyl]pyridine-2-carboxamide;1-fluoro-2-methoxyethane
CID 144651963
5-chloro-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide
CID 90238140
N-(4-fluoro-3-propylphenyl)-5-methoxypyridine-2-carboxamide
CID 126634300
N-(3-fluorophenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179399
N-(2,5-difluorophenyl)-5-(propylamino)pyridine-2-carboxamide
CID 104639737
N-(3-chloro-4-fluorophenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195858
5-bromo-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide
CID 90238784
5-(butylamino)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109180928
N-(3,4-difluorophenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180618
5-(ethylamino)-N-(2,4,6-trifluorophenyl)pyridine-2-carboxamide
CID 104641649
N-(3-fluoro-4-pyridinyl)-5-(propylamino)pyridine-2-carboxamide
CID 107595450

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[4-fluoro-3-[(3-imino-2-methylhexan-2-yl)sulfonylmethyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-fluoro-N-[4-fluoro-3-[(3-imino-2-methylhexan-2-yl)sulfonylmethyl]phenyl]pyridine-2-carboxamide (CID 144651865) is 5-fluoro-N-[4-fluoro-3-[(3-imino-2-methylhexan-2-yl)sulfonylmethyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[4-fluoro-3-[(3-imino-2-methylhexan-2-yl)sulfonylmethyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[4-fluoro-3-[(3-imino-2-methylhexan-2-yl)sulfonylmethyl]phenyl]pyridine-2-carboxamide is [H]/N=C(\CCC)C(C)(C)S(=O)(=O)Cc1cc(NC(=O)c2ccc(F)cn2)ccc1F.
What is the InChIKey of 5-fluoro-N-[4-fluoro-3-[(3-imino-2-methylhexan-2-yl)sulfonylmethyl]phenyl]pyridine-2-carboxamide?
The InChIKey is SXOTZHNZWDRRGS-PTGBLXJZSA-N. The full InChI is InChI=1S/C20H23F2N3O3S/c1-4-5-18(23)20(2,3)29(27,28)12-13-10-15(7-8-16(13)22)25-19(26)17-9-6-14(21)11-24-17/h6-11,23H,4-5,12H2,1-3H3,(H,25,26)/b23-18+.
What are the key properties of 5-fluoro-N-[4-fluoro-3-[(3-imino-2-methylhexan-2-yl)sulfonylmethyl]phenyl]pyridine-2-carboxamide?
5-fluoro-N-[4-fluoro-3-[(3-imino-2-methylhexan-2-yl)sulfonylmethyl]phenyl]pyridine-2-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[4-fluoro-3-[(3-imino-2-methylhexan-2-yl)sulfonylmethyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 144651865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).