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

C24H27N5OS — CID 24746436

IUPACN-(2-amino-5-thiophen-3-ylphenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
SMILESNc1ccc(-c2ccsc2)cc1NC(=O)c1ccc(N2CCC3(CCNC3)CC2)nc1
InChIInChI=1S/C24H27N5OS/c25-20-3-1-17(19-5-12-31-15-19)13-21(20)28-23(30)18-2-4-22(27-14-18)29-10-7-24(8-11-29)6-9-26-16-24/h1-5,12-15,26H,6-11,16,25H2,(H,28,30)
InChIKeyTUVQBCVIGSAMTQ-UHFFFAOYSA-N
MW433.58 g/mol
LogP4.22
Rot. Bonds4

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

N-(2-amino-5-thiophen-3-ylphenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide (PubChem CID 24746436) has the molecular formula C24H27N5OS and a molecular weight of 433.58 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-3-ylphenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-3-ylphenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
PubChem CID24746436
Molecular FormulaC24H27N5OS
Molecular Weight433.58 g/mol
Exact Mass433.19
IUPAC NameN-(2-amino-5-thiophen-3-ylphenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
SMILESNc1ccc(-c2ccsc2)cc1NC(=O)c1ccc(N2CCC3(CCNC3)CC2)nc1
InChIInChI=1S/C24H27N5OS/c25-20-3-1-17(19-5-12-31-15-19)13-21(20)28-23(30)18-2-4-22(27-14-18)29-10-7-24(8-11-29)6-9-26-16-24/h1-5,12-15,26H,6-11,16,25H2,(H,28,30)
InChIKeyTUVQBCVIGSAMTQ-UHFFFAOYSA-N
XLogP4.22
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 54.22
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-3-ylphenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-5-thiophen-3-ylphenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide (CID 24746436) is N-(2-amino-5-thiophen-3-ylphenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-5-thiophen-3-ylphenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-5-thiophen-3-ylphenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide is Nc1ccc(-c2ccsc2)cc1NC(=O)c1ccc(N2CCC3(CCNC3)CC2)nc1.
What is the InChIKey of N-(2-amino-5-thiophen-3-ylphenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The InChIKey is TUVQBCVIGSAMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5OS/c25-20-3-1-17(19-5-12-31-15-19)13-21(20)28-23(30)18-2-4-22(27-14-18)29-10-7-24(8-11-29)6-9-26-16-24/h1-5,12-15,26H,6-11,16,25H2,(H,28,30).
What are the key properties of N-(2-amino-5-thiophen-3-ylphenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
N-(2-amino-5-thiophen-3-ylphenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide has a molecular weight of 433.58 g/mol, XLogP of 4.22, 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-3-ylphenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide is sourced from PubChem (CID 24746436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).