9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-N-ethyl-2,9-diazaspiro[4.5]decane-2-carboxamide

C29H34N6O2 — CID 24744160

IUPAC9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-N-ethyl-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCCNC(=O)N1CCC2(CCCN(c3ccc(C(=O)Nc4cc(-c5ccccc5)ccc4N)cn3)C2)C1
InChIInChI=1S/C29H34N6O2/c1-2-31-28(37)35-16-14-29(20-35)13-6-15-34(19-29)26-12-10-23(18-32-26)27(36)33-25-17-22(9-11-24(25)30)21-7-4-3-5-8-21/h3-5,7-12,17-18H,2,6,13-16,19-20,30H2,1H3,(H,31,37)(H,33,36)
InChIKeyVFLXUEFJURLETQ-UHFFFAOYSA-N
MW498.63 g/mol
LogP4.60
Rot. Bonds5

About 9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-N-ethyl-2,9-diazaspiro[4.5]decane-2-carboxamide

9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-N-ethyl-2,9-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 24744160) has the molecular formula C29H34N6O2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-N-ethyl-2,9-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-N-ethyl-2,9-diazaspiro[4.5]decane-2-carboxamide
PubChem CID24744160
Molecular FormulaC29H34N6O2
Molecular Weight498.63 g/mol
Exact Mass498.27
IUPAC Name9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-N-ethyl-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCCNC(=O)N1CCC2(CCCN(c3ccc(C(=O)Nc4cc(-c5ccccc5)ccc4N)cn3)C2)C1
InChIInChI=1S/C29H34N6O2/c1-2-31-28(37)35-16-14-29(20-35)13-6-15-34(19-29)26-12-10-23(18-32-26)27(36)33-25-17-22(9-11-24(25)30)21-7-4-3-5-8-21/h3-5,7-12,17-18H,2,6,13-16,19-20,30H2,1H3,(H,31,37)(H,33,36)
InChIKeyVFLXUEFJURLETQ-UHFFFAOYSA-N
XLogP4.60
TPSA103.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-2,9-diazaspiro[4.5]decane-2-carboxylic acid
CID 68901246
N-(2-amino-5-phenylphenyl)-6-(2-butanoyl-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxamide
CID 58234893
2-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,8-diazaspiro[4.5]decane-8-carboxylic acid
CID 68900468
tert-butyl (5R)-2-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 143469921
benzyl 7-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 24745586
[1'-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-ethylcarbamic acid
CID 66757742
N-[2-amino-5-(1-methylpyrazol-4-yl)phenyl]-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
CID 90643783
N-(2-amino-5-thiophen-2-ylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide
CID 134535362
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl N-ethylcarbamate
CID 91362734
N-(2-amino-5-thiophen-2-ylphenyl)-6-(4,4-dimethyl-1,4-azasilinan-1-yl)pyridine-3-carboxamide
CID 25184385
8-[5-[1-(2-amino-5-phenylanilino)ethenyl]-2-pyridinyl]-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 143469916
N-(2-aminophenyl)-6-(1,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
CID 123593113

Frequently Asked Questions

What is the IUPAC name of 9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-N-ethyl-2,9-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of 9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-N-ethyl-2,9-diazaspiro[4.5]decane-2-carboxamide (CID 24744160) is 9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-N-ethyl-2,9-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for 9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-N-ethyl-2,9-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for 9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-N-ethyl-2,9-diazaspiro[4.5]decane-2-carboxamide is CCNC(=O)N1CCC2(CCCN(c3ccc(C(=O)Nc4cc(-c5ccccc5)ccc4N)cn3)C2)C1.
What is the InChIKey of 9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-N-ethyl-2,9-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is VFLXUEFJURLETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O2/c1-2-31-28(37)35-16-14-29(20-35)13-6-15-34(19-29)26-12-10-23(18-32-26)27(36)33-25-17-22(9-11-24(25)30)21-7-4-3-5-8-21/h3-5,7-12,17-18H,2,6,13-16,19-20,30H2,1H3,(H,31,37)(H,33,36).
What are the key properties of 9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-N-ethyl-2,9-diazaspiro[4.5]decane-2-carboxamide?
9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-N-ethyl-2,9-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 498.63 g/mol, XLogP of 4.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-N-ethyl-2,9-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 24744160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).