N-[(3-fluorophenyl)methyl]-6-(pyridin-3-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide

C19H21FN4O3S — CID 156602002

IUPACN-[(3-fluorophenyl)methyl]-6-(pyridin-3-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCc1cccc(F)c1)N1CC2CC(NS(=O)(=O)c3cccnc3)C1C2
InChIInChI=1S/C19H21FN4O3S/c20-15-4-1-3-13(7-15)10-22-19(25)24-12-14-8-17(18(24)9-14)23-28(26,27)16-5-2-6-21-11-16/h1-7,11,14,17-18,23H,8-10,12H2,(H,22,25)
InChIKeyCYFMLBBRAHMRSF-UHFFFAOYSA-N
MW404.47 g/mol
LogP1.87
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-6-(pyridin-3-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide

N-[(3-fluorophenyl)methyl]-6-(pyridin-3-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 156602002) has the molecular formula C19H21FN4O3S and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-6-(pyridin-3-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-6-(pyridin-3-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID156602002
Molecular FormulaC19H21FN4O3S
Molecular Weight404.47 g/mol
Exact Mass404.13
IUPAC NameN-[(3-fluorophenyl)methyl]-6-(pyridin-3-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCc1cccc(F)c1)N1CC2CC(NS(=O)(=O)c3cccnc3)C1C2
InChIInChI=1S/C19H21FN4O3S/c20-15-4-1-3-13(7-15)10-22-19(25)24-12-14-8-17(18(24)9-14)23-28(26,27)16-5-2-6-21-11-16/h1-7,11,14,17-18,23H,8-10,12H2,(H,22,25)
InChIKeyCYFMLBBRAHMRSF-UHFFFAOYSA-N
XLogP1.87
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-fluoro-4-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-sulfonamide
CID 156602000
(1R,4S,6S)-N-(4-chloro-2-methylphenyl)-6-(pyridin-3-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 71836884
N-[(1R,4R,6S)-2-(3,5-difluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 87052706
N-[(1R,4S,6S)-2-[2-(3-chlorophenoxy)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]benzenesulfonamide
CID 71836907
8-N-[(3-fluorophenyl)methyl]-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
CID 131655904
3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
1-[(3-fluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61195010
(2S,3S)-N-[(3-fluorophenyl)methyl]-3-hydroxy-2-(pyridin-4-ylmethyl)pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155832353
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclobutanecarboxamide
CID 47067287
(1S,2R,5R)-2-phenyl-N-(pyridin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide
CID 166294995
(3aS,6aS)-N-[(3-fluorophenyl)methyl]-1-[3-(1,2,4-triazol-4-yl)propanoyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide
CID 163319546
N-[(3R,4R)-4-[(3-methylphenyl)methoxy]-1-prop-2-enoylpyrrolidin-3-yl]pyridine-3-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-6-(pyridin-3-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-6-(pyridin-3-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide (CID 156602002) is N-[(3-fluorophenyl)methyl]-6-(pyridin-3-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-6-(pyridin-3-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-6-(pyridin-3-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide is O=C(NCc1cccc(F)c1)N1CC2CC(NS(=O)(=O)c3cccnc3)C1C2.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-6-(pyridin-3-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is CYFMLBBRAHMRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3S/c20-15-4-1-3-13(7-15)10-22-19(25)24-12-14-8-17(18(24)9-14)23-28(26,27)16-5-2-6-21-11-16/h1-7,11,14,17-18,23H,8-10,12H2,(H,22,25).
What are the key properties of N-[(3-fluorophenyl)methyl]-6-(pyridin-3-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
N-[(3-fluorophenyl)methyl]-6-(pyridin-3-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-6-(pyridin-3-ylsulfonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 156602002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).