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

C26H29N5O — CID 44589856

IUPACN-(2-amino-5-phenylphenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
SMILESNc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(N2CCC3(CCNC3)CC2)nc1
InChIInChI=1S/C26H29N5O/c27-22-8-6-20(19-4-2-1-3-5-19)16-23(22)30-25(32)21-7-9-24(29-17-21)31-14-11-26(12-15-31)10-13-28-18-26/h1-9,16-17,28H,10-15,18,27H2,(H,30,32)
InChIKeyCFQUBQIUHFUYLY-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.16
Rot. Bonds4

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

N-(2-amino-5-phenylphenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide (PubChem CID 44589856) has the molecular formula C26H29N5O and a molecular weight of 427.55 g/mol. Its IUPAC name is N-(2-amino-5-phenylphenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-phenylphenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
PubChem CID44589856
Molecular FormulaC26H29N5O
Molecular Weight427.55 g/mol
Exact Mass427.24
IUPAC NameN-(2-amino-5-phenylphenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
SMILESNc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(N2CCC3(CCNC3)CC2)nc1
InChIInChI=1S/C26H29N5O/c27-22-8-6-20(19-4-2-1-3-5-19)16-23(22)30-25(32)21-7-9-24(29-17-21)31-14-11-26(12-15-31)10-13-28-18-26/h1-9,16-17,28H,10-15,18,27H2,(H,30,32)
InChIKeyCFQUBQIUHFUYLY-UHFFFAOYSA-N
XLogP4.16
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-5-phenylphenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide (CID 44589856) is N-(2-amino-5-phenylphenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-5-phenylphenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-5-phenylphenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide is Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(N2CCC3(CCNC3)CC2)nc1.
What is the InChIKey of N-(2-amino-5-phenylphenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The InChIKey is CFQUBQIUHFUYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O/c27-22-8-6-20(19-4-2-1-3-5-19)16-23(22)30-25(32)21-7-9-24(29-17-21)31-14-11-26(12-15-31)10-13-28-18-26/h1-9,16-17,28H,10-15,18,27H2,(H,30,32).
What are the key properties of N-(2-amino-5-phenylphenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
N-(2-amino-5-phenylphenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 4.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-phenylphenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide is sourced from PubChem (CID 44589856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).