6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-cyclopropylpyridine-2-carboxamide;N-cyclopropyl-6-[8-[3-(trifluoromethyl)phenyl]sulfonyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]pyridine-2-carboxamide

C39H41F3N6O4S — CID 162113020

IUPAC6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-cyclopropylpyridine-2-carboxamide;N-cyclopropyl-6-[8-[3-(trifluoromethyl)phenyl]sulfonyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]pyridine-2-carboxamide
SMILESO=C(NC1CC1)c1cccc(C2=CC3CCC(C2)N3)n1.O=C(NC1CC1)c1cccc(C2=CC3CCC(C2)N3S(=O)(=O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C23H22F3N3O3S.C16H19N3O/c24-23(25,26)15-3-1-4-19(13-15)33(31,32)29-17-9-10-18(29)12-14(11-17)20-5-2-6-21(28-20)22(30)27-16-7-8-16;20-16(18-11-4-5-11)15-3-1-2-14(19-15)10-8-12-6-7-13(9-10)17-12/h1-6,11,13,16-18H,7-10,12H2,(H,27,30);1-3,8,11-13,17H,4-7,9H2,(H,18,20)
InChIKeyZGKAYGQZTWIQKW-UHFFFAOYSA-N
MW746.86 g/mol
LogP5.88
Rot. Bonds8

About 6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-cyclopropylpyridine-2-carboxamide;N-cyclopropyl-6-[8-[3-(trifluoromethyl)phenyl]sulfonyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]pyridine-2-carboxamide

6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-cyclopropylpyridine-2-carboxamide;N-cyclopropyl-6-[8-[3-(trifluoromethyl)phenyl]sulfonyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]pyridine-2-carboxamide (PubChem CID 162113020) has the molecular formula C39H41F3N6O4S and a molecular weight of 746.86 g/mol. Its IUPAC name is 6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-cyclopropylpyridine-2-carboxamide;N-cyclopropyl-6-[8-[3-(trifluoromethyl)phenyl]sulfonyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-cyclopropylpyridine-2-carboxamide;N-cyclopropyl-6-[8-[3-(trifluoromethyl)phenyl]sulfonyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]pyridine-2-carboxamide
PubChem CID162113020
Molecular FormulaC39H41F3N6O4S
Molecular Weight746.86 g/mol
Exact Mass746.29
IUPAC Name6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-cyclopropylpyridine-2-carboxamide;N-cyclopropyl-6-[8-[3-(trifluoromethyl)phenyl]sulfonyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]pyridine-2-carboxamide
SMILESO=C(NC1CC1)c1cccc(C2=CC3CCC(C2)N3)n1.O=C(NC1CC1)c1cccc(C2=CC3CCC(C2)N3S(=O)(=O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C23H22F3N3O3S.C16H19N3O/c24-23(25,26)15-3-1-4-19(13-15)33(31,32)29-17-9-10-18(29)12-14(11-17)20-5-2-6-21(28-20)22(30)27-16-7-8-16;20-16(18-11-4-5-11)15-3-1-2-14(19-15)10-8-12-6-7-13(9-10)17-12/h1-6,11,13,16-18H,7-10,12H2,(H,27,30);1-3,8,11-13,17H,4-7,9H2,(H,18,20)
InChIKeyZGKAYGQZTWIQKW-UHFFFAOYSA-N
XLogP5.88
TPSA133.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.86
LogP ≤ 55.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-cyclopropylpyridine-2-carboxamide;N-cyclopropyl-6-[8-[3-(trifluoromethyl)phenyl]sulfonyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-6-[1-[methylidene-oxo-[3-(trifluoromethyl)phenyl]-λ6-sulfanyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide
CID 162561080
tert-butyl 3-[6-(cyclopropylcarbamoyl)-2-pyridinyl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
CID 58296130
6-N-cyclopropyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093945
6-(4-carbamoylphenyl)-N-cyclopropylpyridine-2-carboxamide
CID 117087014
6-N-cyclohexyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109095374
1-cyclohexyl-3-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]urea
CID 25069817
6-N-cyclopropyl-2-N-[2-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093944
N-[(7S,8aS)-2-[3-(trifluoromethyl)phenyl]sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-4-fluorobenzamide
CID 71544209
N-(4-aminocyclohexyl)-3-(trifluoromethyl)benzamide;hydrochloride
CID 119478233
N-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109110127
1-[3-(trifluoromethyl)phenyl]-3-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]urea
CID 141202562
N-cyclopropyl-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-2-carboxamide
CID 143934489

Frequently Asked Questions

What is the IUPAC name of 6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-cyclopropylpyridine-2-carboxamide;N-cyclopropyl-6-[8-[3-(trifluoromethyl)phenyl]sulfonyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-cyclopropylpyridine-2-carboxamide;N-cyclopropyl-6-[8-[3-(trifluoromethyl)phenyl]sulfonyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]pyridine-2-carboxamide (CID 162113020) is 6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-cyclopropylpyridine-2-carboxamide;N-cyclopropyl-6-[8-[3-(trifluoromethyl)phenyl]sulfonyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-cyclopropylpyridine-2-carboxamide;N-cyclopropyl-6-[8-[3-(trifluoromethyl)phenyl]sulfonyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-cyclopropylpyridine-2-carboxamide;N-cyclopropyl-6-[8-[3-(trifluoromethyl)phenyl]sulfonyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]pyridine-2-carboxamide is O=C(NC1CC1)c1cccc(C2=CC3CCC(C2)N3)n1.O=C(NC1CC1)c1cccc(C2=CC3CCC(C2)N3S(=O)(=O)c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-cyclopropylpyridine-2-carboxamide;N-cyclopropyl-6-[8-[3-(trifluoromethyl)phenyl]sulfonyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]pyridine-2-carboxamide?
The InChIKey is ZGKAYGQZTWIQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O3S.C16H19N3O/c24-23(25,26)15-3-1-4-19(13-15)33(31,32)29-17-9-10-18(29)12-14(11-17)20-5-2-6-21(28-20)22(30)27-16-7-8-16;20-16(18-11-4-5-11)15-3-1-2-14(19-15)10-8-12-6-7-13(9-10)17-12/h1-6,11,13,16-18H,7-10,12H2,(H,27,30);1-3,8,11-13,17H,4-7,9H2,(H,18,20).
What are the key properties of 6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-cyclopropylpyridine-2-carboxamide;N-cyclopropyl-6-[8-[3-(trifluoromethyl)phenyl]sulfonyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]pyridine-2-carboxamide?
6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-cyclopropylpyridine-2-carboxamide;N-cyclopropyl-6-[8-[3-(trifluoromethyl)phenyl]sulfonyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]pyridine-2-carboxamide has a molecular weight of 746.86 g/mol, XLogP of 5.88, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-cyclopropylpyridine-2-carboxamide;N-cyclopropyl-6-[8-[3-(trifluoromethyl)phenyl]sulfonyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 162113020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).