N-[4-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)sulfonyl]phenyl]pyridine-2-carboxamide

C20H21N3O4S — CID 122152580

IUPACN-[4-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)sulfonyl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CC3CC4CC3C2C4O)cc1)c1ccccn1
InChIInChI=1S/C20H21N3O4S/c24-19-12-9-13-11-23(18(19)16(13)10-12)28(26,27)15-6-4-14(5-7-15)22-20(25)17-3-1-2-8-21-17/h1-8,12-13,16,18-19,24H,9-11H2,(H,22,25)
InChIKeySTPOMPLSAVQCEO-UHFFFAOYSA-N
MW399.47 g/mol
LogP1.72
Rot. Bonds4

About N-[4-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)sulfonyl]phenyl]pyridine-2-carboxamide

N-[4-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)sulfonyl]phenyl]pyridine-2-carboxamide (PubChem CID 122152580) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[4-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)sulfonyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)sulfonyl]phenyl]pyridine-2-carboxamide
PubChem CID122152580
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-[4-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)sulfonyl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CC3CC4CC3C2C4O)cc1)c1ccccn1
InChIInChI=1S/C20H21N3O4S/c24-19-12-9-13-11-23(18(19)16(13)10-12)28(26,27)15-6-4-14(5-7-15)22-20(25)17-3-1-2-8-21-17/h1-8,12-13,16,18-19,24H,9-11H2,(H,22,25)
InChIKeySTPOMPLSAVQCEO-UHFFFAOYSA-N
XLogP1.72
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)sulfonyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)sulfonyl]phenyl]pyridine-2-carboxamide (CID 122152580) is N-[4-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)sulfonyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)sulfonyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)sulfonyl]phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CC3CC4CC3C2C4O)cc1)c1ccccn1.
What is the InChIKey of N-[4-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)sulfonyl]phenyl]pyridine-2-carboxamide?
The InChIKey is STPOMPLSAVQCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c24-19-12-9-13-11-23(18(19)16(13)10-12)28(26,27)15-6-4-14(5-7-15)22-20(25)17-3-1-2-8-21-17/h1-8,12-13,16,18-19,24H,9-11H2,(H,22,25).
What are the key properties of N-[4-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)sulfonyl]phenyl]pyridine-2-carboxamide?
N-[4-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)sulfonyl]phenyl]pyridine-2-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)sulfonyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 122152580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).