N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,9-diazaspiro[5.5]undecan-2-yl)pyridine-3-carboxamide

C25H27N5O2S — CID 139451621

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,9-diazaspiro[5.5]undecan-2-yl)pyridine-3-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CC3(CCNCC3)CCC2=O)nc1
InChIInChI=1S/C25H27N5O2S/c26-19-5-3-17(21-2-1-13-33-21)14-20(19)29-24(32)18-4-6-22(28-15-18)30-16-25(8-7-23(30)31)9-11-27-12-10-25/h1-6,13-15,27H,7-12,16,26H2,(H,29,32)
InChIKeyVZLMSYBFEMEOLD-UHFFFAOYSA-N
MW461.59 g/mol
LogP4.14
Rot. Bonds4

About N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,9-diazaspiro[5.5]undecan-2-yl)pyridine-3-carboxamide

N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,9-diazaspiro[5.5]undecan-2-yl)pyridine-3-carboxamide (PubChem CID 139451621) has the molecular formula C25H27N5O2S and a molecular weight of 461.59 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,9-diazaspiro[5.5]undecan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,9-diazaspiro[5.5]undecan-2-yl)pyridine-3-carboxamide
PubChem CID139451621
Molecular FormulaC25H27N5O2S
Molecular Weight461.59 g/mol
Exact Mass461.19
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,9-diazaspiro[5.5]undecan-2-yl)pyridine-3-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CC3(CCNCC3)CCC2=O)nc1
InChIInChI=1S/C25H27N5O2S/c26-19-5-3-17(21-2-1-13-33-21)14-20(19)29-24(32)18-4-6-22(28-15-18)30-16-25(8-7-23(30)31)9-11-27-12-10-25/h1-6,13-15,27H,7-12,16,26H2,(H,29,32)
InChIKeyVZLMSYBFEMEOLD-UHFFFAOYSA-N
XLogP4.14
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 54.14
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-2,9-diazaspiro[5.5]undecan-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,9-diazaspiro[5.5]undecan-2-yl)pyridine-3-carboxamide (CID 139451621) is N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,9-diazaspiro[5.5]undecan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,9-diazaspiro[5.5]undecan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,9-diazaspiro[5.5]undecan-2-yl)pyridine-3-carboxamide is Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CC3(CCNCC3)CCC2=O)nc1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,9-diazaspiro[5.5]undecan-2-yl)pyridine-3-carboxamide?
The InChIKey is VZLMSYBFEMEOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2S/c26-19-5-3-17(21-2-1-13-33-21)14-20(19)29-24(32)18-4-6-22(28-15-18)30-16-25(8-7-23(30)31)9-11-27-12-10-25/h1-6,13-15,27H,7-12,16,26H2,(H,29,32).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,9-diazaspiro[5.5]undecan-2-yl)pyridine-3-carboxamide?
N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,9-diazaspiro[5.5]undecan-2-yl)pyridine-3-carboxamide has a molecular weight of 461.59 g/mol, XLogP of 4.14, 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-2,9-diazaspiro[5.5]undecan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 139451621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).