9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-2,9-diazaspiro[4.5]decane-2-carboxylic acid

C27H29N5O3 — CID 68901246

IUPAC9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-2,9-diazaspiro[4.5]decane-2-carboxylic acid
SMILESNc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(N2CCCC3(CCN(C(=O)O)C3)C2)nc1
InChIInChI=1S/C27H29N5O3/c28-22-9-7-20(19-5-2-1-3-6-19)15-23(22)30-25(33)21-8-10-24(29-16-21)31-13-4-11-27(17-31)12-14-32(18-27)26(34)35/h1-3,5-10,15-16H,4,11-14,17-18,28H2,(H,30,33)(H,34,35)
InChIKeyXFHGCFBKAQWHHY-UHFFFAOYSA-N
MW471.56 g/mol
LogP4.55
Rot. Bonds4

About 9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-2,9-diazaspiro[4.5]decane-2-carboxylic acid

9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-2,9-diazaspiro[4.5]decane-2-carboxylic acid (PubChem CID 68901246) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is 9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-2,9-diazaspiro[4.5]decane-2-carboxylic acid.

Molecular Properties

Compound Name9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-2,9-diazaspiro[4.5]decane-2-carboxylic acid
PubChem CID68901246
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC Name9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-2,9-diazaspiro[4.5]decane-2-carboxylic acid
SMILESNc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(N2CCCC3(CCN(C(=O)O)C3)C2)nc1
InChIInChI=1S/C27H29N5O3/c28-22-9-7-20(19-5-2-1-3-6-19)15-23(22)30-25(33)21-8-10-24(29-16-21)31-13-4-11-27(17-31)12-14-32(18-27)26(34)35/h1-3,5-10,15-16H,4,11-14,17-18,28H2,(H,30,33)(H,34,35)
InChIKeyXFHGCFBKAQWHHY-UHFFFAOYSA-N
XLogP4.55
TPSA111.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 54.55
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

N-(2-amino-5-phenylphenyl)-6-(2-butanoyl-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxamide
CID 58234893
9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-N-ethyl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 24744160
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-thiophen-2-ylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide
CID 134535362
N-(2-amino-5-phenylphenyl)-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide
CID 59737305
N-(2-amino-5-thiophen-2-ylphenyl)-6-(4,4-dimethyl-1,4-azasilinan-1-yl)pyridine-3-carboxamide
CID 25184385
N-(2-aminophenyl)-6-(1,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
CID 123593113
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
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

Frequently Asked Questions

What is the IUPAC name of 9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-2,9-diazaspiro[4.5]decane-2-carboxylic acid?
The IUPAC name of 9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-2,9-diazaspiro[4.5]decane-2-carboxylic acid (CID 68901246) is 9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-2,9-diazaspiro[4.5]decane-2-carboxylic acid.
What is the SMILES notation for 9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-2,9-diazaspiro[4.5]decane-2-carboxylic acid?
The canonical SMILES for 9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-2,9-diazaspiro[4.5]decane-2-carboxylic acid is Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(N2CCCC3(CCN(C(=O)O)C3)C2)nc1.
What is the InChIKey of 9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-2,9-diazaspiro[4.5]decane-2-carboxylic acid?
The InChIKey is XFHGCFBKAQWHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c28-22-9-7-20(19-5-2-1-3-6-19)15-23(22)30-25(33)21-8-10-24(29-16-21)31-13-4-11-27(17-31)12-14-32(18-27)26(34)35/h1-3,5-10,15-16H,4,11-14,17-18,28H2,(H,30,33)(H,34,35).
What are the key properties of 9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-2,9-diazaspiro[4.5]decane-2-carboxylic acid?
9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-2,9-diazaspiro[4.5]decane-2-carboxylic acid has a molecular weight of 471.56 g/mol, XLogP of 4.55, 4 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]-2,9-diazaspiro[4.5]decane-2-carboxylic acid is sourced from PubChem (CID 68901246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).