trans-(1R,2R)-N-(1,6-naphthyridin-2-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide

C23H19N5O3S — CID 162666508

IUPACtrans-(1R,2R)-N-(1,6-naphthyridin-2-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2cnccc2n1)[C@@H]1C[C@H]1c1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C23H19N5O3S/c29-23(27-22-9-6-16-14-24-12-10-20(16)26-22)19-13-18(19)15-4-7-17(8-5-15)32(30,31)28-21-3-1-2-11-25-21/h1-12,14,18-19H,13H2,(H,25,28)(H,26,27,29)/t18-,19+/m0/s1
InChIKeyIBDDMLHLHUWMJA-RBUKOAKNSA-N
MW445.50 g/mol
LogP3.57
Rot. Bonds6

About trans-(1R,2R)-N-(1,6-naphthyridin-2-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide

trans-(1R,2R)-N-(1,6-naphthyridin-2-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 162666508) has the molecular formula C23H19N5O3S and a molecular weight of 445.50 g/mol. Its IUPAC name is trans-(1R,2R)-N-(1,6-naphthyridin-2-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(1,6-naphthyridin-2-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
PubChem CID162666508
Molecular FormulaC23H19N5O3S
Molecular Weight445.50 g/mol
Exact Mass445.12
IUPAC Nametrans-(1R,2R)-N-(1,6-naphthyridin-2-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2cnccc2n1)[C@@H]1C[C@H]1c1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C23H19N5O3S/c29-23(27-22-9-6-16-14-24-12-10-20(16)26-22)19-13-18(19)15-4-7-17(8-5-15)32(30,31)28-21-3-1-2-11-25-21/h1-12,14,18-19H,13H2,(H,25,28)(H,26,27,29)/t18-,19+/m0/s1
InChIKeyIBDDMLHLHUWMJA-RBUKOAKNSA-N
XLogP3.57
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(1,6-naphthyridin-2-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-(1,6-naphthyridin-2-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide (CID 162666508) is trans-(1R,2R)-N-(1,6-naphthyridin-2-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-(1,6-naphthyridin-2-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-(1,6-naphthyridin-2-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide is O=C(Nc1ccc2cnccc2n1)[C@@H]1C[C@H]1c1ccc(S(=O)(=O)Nc2ccccn2)cc1.
What is the InChIKey of trans-(1R,2R)-N-(1,6-naphthyridin-2-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is IBDDMLHLHUWMJA-RBUKOAKNSA-N. The full InChI is InChI=1S/C23H19N5O3S/c29-23(27-22-9-6-16-14-24-12-10-20(16)26-22)19-13-18(19)15-4-7-17(8-5-15)32(30,31)28-21-3-1-2-11-25-21/h1-12,14,18-19H,13H2,(H,25,28)(H,26,27,29)/t18-,19+/m0/s1.
What are the key properties of trans-(1R,2R)-N-(1,6-naphthyridin-2-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
trans-(1R,2R)-N-(1,6-naphthyridin-2-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 445.50 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-(1,6-naphthyridin-2-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 162666508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).