N-(2-amino-5-thiophen-2-ylphenyl)-6-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide

C24H25N5O2S — CID 44590153

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-6-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CCNC3=O)CC2)nc1
InChIInChI=1S/C24H25N5O2S/c25-18-5-3-16(20-2-1-13-32-20)14-19(18)28-22(30)17-4-6-21(27-15-17)29-11-8-24(9-12-29)7-10-26-23(24)31/h1-6,13-15H,7-12,25H2,(H,26,31)(H,28,30)
InChIKeyHWMRDBKBMQHAFV-UHFFFAOYSA-N
MW447.56 g/mol
LogP3.75
Rot. Bonds4

About N-(2-amino-5-thiophen-2-ylphenyl)-6-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide

N-(2-amino-5-thiophen-2-ylphenyl)-6-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide (PubChem CID 44590153) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-6-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-6-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
PubChem CID44590153
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-6-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CCNC3=O)CC2)nc1
InChIInChI=1S/C24H25N5O2S/c25-18-5-3-16(20-2-1-13-32-20)14-19(18)28-22(30)17-4-6-21(27-15-17)29-11-8-24(9-12-29)7-10-26-23(24)31/h1-6,13-15H,7-12,25H2,(H,26,31)(H,28,30)
InChIKeyHWMRDBKBMQHAFV-UHFFFAOYSA-N
XLogP3.75
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 53.75
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-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-6-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide (CID 44590153) is N-(2-amino-5-thiophen-2-ylphenyl)-6-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-6-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-6-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide is Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CCNC3=O)CC2)nc1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-6-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The InChIKey is HWMRDBKBMQHAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c25-18-5-3-16(20-2-1-13-32-20)14-19(18)28-22(30)17-4-6-21(27-15-17)29-11-8-24(9-12-29)7-10-26-23(24)31/h1-6,13-15H,7-12,25H2,(H,26,31)(H,28,30).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-6-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
N-(2-amino-5-thiophen-2-ylphenyl)-6-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 3.75, 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-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide is sourced from PubChem (CID 44590153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).