N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,7-diazaspiro[3.5]nonan-7-yl)pyridine-3-carboxamide

C23H23N5O2S — CID 44590208

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,7-diazaspiro[3.5]nonan-7-yl)pyridine-3-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CC2)CNC3=O)nc1
InChIInChI=1S/C23H23N5O2S/c24-17-5-3-15(19-2-1-11-31-19)12-18(17)27-21(29)16-4-6-20(25-13-16)28-9-7-23(8-10-28)14-26-22(23)30/h1-6,11-13H,7-10,14,24H2,(H,26,30)(H,27,29)
InChIKeyBHUJWKLXOJFZOZ-UHFFFAOYSA-N
MW433.54 g/mol
LogP3.36
Rot. Bonds4

About N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,7-diazaspiro[3.5]nonan-7-yl)pyridine-3-carboxamide

N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,7-diazaspiro[3.5]nonan-7-yl)pyridine-3-carboxamide (PubChem CID 44590208) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,7-diazaspiro[3.5]nonan-7-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,7-diazaspiro[3.5]nonan-7-yl)pyridine-3-carboxamide
PubChem CID44590208
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,7-diazaspiro[3.5]nonan-7-yl)pyridine-3-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CC2)CNC3=O)nc1
InChIInChI=1S/C23H23N5O2S/c24-17-5-3-15(19-2-1-11-31-19)12-18(17)27-21(29)16-4-6-20(25-13-16)28-9-7-23(8-10-28)14-26-22(23)30/h1-6,11-13H,7-10,14,24H2,(H,26,30)(H,27,29)
InChIKeyBHUJWKLXOJFZOZ-UHFFFAOYSA-N
XLogP3.36
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,7-diazaspiro[3.5]nonan-7-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,7-diazaspiro[3.5]nonan-7-yl)pyridine-3-carboxamide (CID 44590208) is N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,7-diazaspiro[3.5]nonan-7-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,7-diazaspiro[3.5]nonan-7-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,7-diazaspiro[3.5]nonan-7-yl)pyridine-3-carboxamide is Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CC2)CNC3=O)nc1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,7-diazaspiro[3.5]nonan-7-yl)pyridine-3-carboxamide?
The InChIKey is BHUJWKLXOJFZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c24-17-5-3-15(19-2-1-11-31-19)12-18(17)27-21(29)16-4-6-20(25-13-16)28-9-7-23(8-10-28)14-26-22(23)30/h1-6,11-13H,7-10,14,24H2,(H,26,30)(H,27,29).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,7-diazaspiro[3.5]nonan-7-yl)pyridine-3-carboxamide?
N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,7-diazaspiro[3.5]nonan-7-yl)pyridine-3-carboxamide has a molecular weight of 433.54 g/mol, XLogP of 3.36, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,7-diazaspiro[3.5]nonan-7-yl)pyridine-3-carboxamide is sourced from PubChem (CID 44590208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).