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

C25H25N5O3 — CID 24744473

IUPACN-(2-amino-5-phenylphenyl)-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
SMILESNc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(N2CCC3(CC2)CNC(=O)O3)nc1
InChIInChI=1S/C25H25N5O3/c26-20-8-6-18(17-4-2-1-3-5-17)14-21(20)29-23(31)19-7-9-22(27-15-19)30-12-10-25(11-13-30)16-28-24(32)33-25/h1-9,14-15H,10-13,16,26H2,(H,28,32)(H,29,31)
InChIKeyBJYDJXHEOGYQLF-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.66
Rot. Bonds4

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

N-(2-amino-5-phenylphenyl)-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide (PubChem CID 24744473) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is N-(2-amino-5-phenylphenyl)-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-phenylphenyl)-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
PubChem CID24744473
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC NameN-(2-amino-5-phenylphenyl)-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
SMILESNc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(N2CCC3(CC2)CNC(=O)O3)nc1
InChIInChI=1S/C25H25N5O3/c26-20-8-6-18(17-4-2-1-3-5-17)14-21(20)29-23(31)19-7-9-22(27-15-19)30-12-10-25(11-13-30)16-28-24(32)33-25/h1-9,14-15H,10-13,16,26H2,(H,28,32)(H,29,31)
InChIKeyBJYDJXHEOGYQLF-UHFFFAOYSA-N
XLogP3.66
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.66
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-phenylphenyl)-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-5-phenylphenyl)-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide (CID 24744473) is N-(2-amino-5-phenylphenyl)-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-5-phenylphenyl)-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-5-phenylphenyl)-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide is Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(N2CCC3(CC2)CNC(=O)O3)nc1.
What is the InChIKey of N-(2-amino-5-phenylphenyl)-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The InChIKey is BJYDJXHEOGYQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c26-20-8-6-18(17-4-2-1-3-5-17)14-21(20)29-23(31)19-7-9-22(27-15-19)30-12-10-25(11-13-30)16-28-24(32)33-25/h1-9,14-15H,10-13,16,26H2,(H,28,32)(H,29,31).
What are the key properties of N-(2-amino-5-phenylphenyl)-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
N-(2-amino-5-phenylphenyl)-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 3.66, 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-phenylphenyl)-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide is sourced from PubChem (CID 24744473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).