N-[(1R,4R,6S)-2-(3,5-difluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide

C18H17F2N3O3S — CID 87052706

IUPACN-[(1R,4R,6S)-2-(3,5-difluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
SMILESO=C(N[C@H]1C[C@@H]2C[C@H]1N(S(=O)(=O)c1cc(F)cc(F)c1)C2)c1cccnc1
InChIInChI=1S/C18H17F2N3O3S/c19-13-6-14(20)8-15(7-13)27(25,26)23-10-11-4-16(17(23)5-11)22-18(24)12-2-1-3-21-9-12/h1-3,6-9,11,16-17H,4-5,10H2,(H,22,24)/t11-,16+,17-/m1/s1
InChIKeyGEMICSRBAMHLCQ-ZTFRIQLXSA-N
MW393.42 g/mol
LogP1.94
Rot. Bonds4

About N-[(1R,4R,6S)-2-(3,5-difluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide

N-[(1R,4R,6S)-2-(3,5-difluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide (PubChem CID 87052706) has the molecular formula C18H17F2N3O3S and a molecular weight of 393.42 g/mol. Its IUPAC name is N-[(1R,4R,6S)-2-(3,5-difluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,4R,6S)-2-(3,5-difluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
PubChem CID87052706
Molecular FormulaC18H17F2N3O3S
Molecular Weight393.42 g/mol
Exact Mass393.10
IUPAC NameN-[(1R,4R,6S)-2-(3,5-difluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
SMILESO=C(N[C@H]1C[C@@H]2C[C@H]1N(S(=O)(=O)c1cc(F)cc(F)c1)C2)c1cccnc1
InChIInChI=1S/C18H17F2N3O3S/c19-13-6-14(20)8-15(7-13)27(25,26)23-10-11-4-16(17(23)5-11)22-18(24)12-2-1-3-21-9-12/h1-3,6-9,11,16-17H,4-5,10H2,(H,22,24)/t11-,16+,17-/m1/s1
InChIKeyGEMICSRBAMHLCQ-ZTFRIQLXSA-N
XLogP1.94
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,4R,6S)-2-(3,5-difluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 87052672
N-[(1R,4R,6S)-2-pyridin-3-ylsulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide
CID 87052760
N-[(1R,4R,6S)-2-[3-(trifluoromethyl)benzoyl]-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 87052678
N-[2-(4-cyanophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 156602021
N-[(1R,4R,6S)-2-[3-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 87052683
N-[(1R,4R,6S)-2-(6-methylpyridine-3-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 86771638
N-[(1R,4R,6S)-2-(furan-2-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 87052675
N-[2-(1-methylpyrrole-2-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 156602037
N-[2-(1,3-benzodioxole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 156601591
N-[2-(5-chloro-2-methoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 156601593
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide
CID 125073491
N-[(1S,4S,5S)-2-(4-propylphenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide
CID 71836817

Frequently Asked Questions

What is the IUPAC name of N-[(1R,4R,6S)-2-(3,5-difluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(1R,4R,6S)-2-(3,5-difluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide (CID 87052706) is N-[(1R,4R,6S)-2-(3,5-difluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,4R,6S)-2-(3,5-difluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(1R,4R,6S)-2-(3,5-difluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide is O=C(N[C@H]1C[C@@H]2C[C@H]1N(S(=O)(=O)c1cc(F)cc(F)c1)C2)c1cccnc1.
What is the InChIKey of N-[(1R,4R,6S)-2-(3,5-difluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide?
The InChIKey is GEMICSRBAMHLCQ-ZTFRIQLXSA-N. The full InChI is InChI=1S/C18H17F2N3O3S/c19-13-6-14(20)8-15(7-13)27(25,26)23-10-11-4-16(17(23)5-11)22-18(24)12-2-1-3-21-9-12/h1-3,6-9,11,16-17H,4-5,10H2,(H,22,24)/t11-,16+,17-/m1/s1.
What are the key properties of N-[(1R,4R,6S)-2-(3,5-difluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide?
N-[(1R,4R,6S)-2-(3,5-difluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,4R,6S)-2-(3,5-difluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide is sourced from PubChem (CID 87052706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).