N-(2-aminophenyl)-6-[2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonan-7-yl]pyridine-3-carboxamide

C25H27N5O3S — CID 24745764

IUPACN-(2-aminophenyl)-6-[2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonan-7-yl]pyridine-3-carboxamide
SMILESNc1ccccc1NC(=O)c1ccc(N2CCC3(CCN(S(=O)(=O)c4ccccc4)C3)C2)nc1
InChIInChI=1S/C25H27N5O3S/c26-21-8-4-5-9-22(21)28-24(31)19-10-11-23(27-16-19)29-14-12-25(17-29)13-15-30(18-25)34(32,33)20-6-2-1-3-7-20/h1-11,16H,12-15,17-18,26H2,(H,28,31)
InChIKeyKPMJOTUARMGJAE-UHFFFAOYSA-N
MW477.59 g/mol
LogP3.21
Rot. Bonds5

About N-(2-aminophenyl)-6-[2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonan-7-yl]pyridine-3-carboxamide

N-(2-aminophenyl)-6-[2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonan-7-yl]pyridine-3-carboxamide (PubChem CID 24745764) has the molecular formula C25H27N5O3S and a molecular weight of 477.59 g/mol. Its IUPAC name is N-(2-aminophenyl)-6-[2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonan-7-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-6-[2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonan-7-yl]pyridine-3-carboxamide
PubChem CID24745764
Molecular FormulaC25H27N5O3S
Molecular Weight477.59 g/mol
Exact Mass477.18
IUPAC NameN-(2-aminophenyl)-6-[2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonan-7-yl]pyridine-3-carboxamide
SMILESNc1ccccc1NC(=O)c1ccc(N2CCC3(CCN(S(=O)(=O)c4ccccc4)C3)C2)nc1
InChIInChI=1S/C25H27N5O3S/c26-21-8-4-5-9-22(21)28-24(31)19-10-11-23(27-16-19)29-14-12-25(17-29)13-15-30(18-25)34(32,33)20-6-2-1-3-7-20/h1-11,16H,12-15,17-18,26H2,(H,28,31)
InChIKeyKPMJOTUARMGJAE-UHFFFAOYSA-N
XLogP3.21
TPSA108.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 53.21
H-Bond Donors ≤ 52
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-aminophenyl)-6-[2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonan-7-yl]pyridine-3-carboxamide?
The IUPAC name of N-(2-aminophenyl)-6-[2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonan-7-yl]pyridine-3-carboxamide (CID 24745764) is N-(2-aminophenyl)-6-[2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonan-7-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-6-[2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonan-7-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-6-[2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonan-7-yl]pyridine-3-carboxamide is Nc1ccccc1NC(=O)c1ccc(N2CCC3(CCN(S(=O)(=O)c4ccccc4)C3)C2)nc1.
What is the InChIKey of N-(2-aminophenyl)-6-[2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonan-7-yl]pyridine-3-carboxamide?
The InChIKey is KPMJOTUARMGJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3S/c26-21-8-4-5-9-22(21)28-24(31)19-10-11-23(27-16-19)29-14-12-25(17-29)13-15-30(18-25)34(32,33)20-6-2-1-3-7-20/h1-11,16H,12-15,17-18,26H2,(H,28,31).
What are the key properties of N-(2-aminophenyl)-6-[2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonan-7-yl]pyridine-3-carboxamide?
N-(2-aminophenyl)-6-[2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonan-7-yl]pyridine-3-carboxamide has a molecular weight of 477.59 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-6-[2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonan-7-yl]pyridine-3-carboxamide is sourced from PubChem (CID 24745764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).