2-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,8-diazaspiro[4.5]decane-8-carboxylic acid

C21H25N5O3 — CID 68900468

IUPAC2-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,8-diazaspiro[4.5]decane-8-carboxylic acid
SMILESNc1ccccc1NC(=O)c1ccc(N2CCC3(CCN(C(=O)O)CC3)C2)nc1
InChIInChI=1S/C21H25N5O3/c22-16-3-1-2-4-17(16)24-19(27)15-5-6-18(23-13-15)26-12-9-21(14-26)7-10-25(11-8-21)20(28)29/h1-6,13H,7-12,14,22H2,(H,24,27)(H,28,29)
InChIKeyMZTHZFWGDYXRCV-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.89
Rot. Bonds3

About 2-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,8-diazaspiro[4.5]decane-8-carboxylic acid

2-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,8-diazaspiro[4.5]decane-8-carboxylic acid (PubChem CID 68900468) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,8-diazaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name2-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,8-diazaspiro[4.5]decane-8-carboxylic acid
PubChem CID68900468
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name2-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,8-diazaspiro[4.5]decane-8-carboxylic acid
SMILESNc1ccccc1NC(=O)c1ccc(N2CCC3(CCN(C(=O)O)CC3)C2)nc1
InChIInChI=1S/C21H25N5O3/c22-16-3-1-2-4-17(16)24-19(27)15-5-6-18(23-13-15)26-12-9-21(14-26)7-10-25(11-8-21)20(28)29/h1-6,13H,7-12,14,22H2,(H,24,27)(H,28,29)
InChIKeyMZTHZFWGDYXRCV-UHFFFAOYSA-N
XLogP2.89
TPSA111.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.89
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

benzyl 7-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 24745586
9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-2,9-diazaspiro[4.5]decane-2-carboxylic acid
CID 68901246
tert-butyl (5R)-2-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 143469921
N-(2-aminophenyl)-6-(1,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
CID 123593113
N-(2-aminophenyl)-6-[4-anilino-4-(methylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide
CID 89175435
N-(2-aminophenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide
CID 69085241
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
tert-butyl 1'-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxylate
CID 25009486
(2S)-4-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2-methyl-N-phenylpiperazine-1-carboxamide
CID 16662872
(1S)-1'-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
CID 25009484
N-(2-aminophenyl)-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide
CID 16662939

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,8-diazaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 2-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,8-diazaspiro[4.5]decane-8-carboxylic acid (CID 68900468) is 2-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,8-diazaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 2-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,8-diazaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 2-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,8-diazaspiro[4.5]decane-8-carboxylic acid is Nc1ccccc1NC(=O)c1ccc(N2CCC3(CCN(C(=O)O)CC3)C2)nc1.
What is the InChIKey of 2-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,8-diazaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is MZTHZFWGDYXRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c22-16-3-1-2-4-17(16)24-19(27)15-5-6-18(23-13-15)26-12-9-21(14-26)7-10-25(11-8-21)20(28)29/h1-6,13H,7-12,14,22H2,(H,24,27)(H,28,29).
What are the key properties of 2-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,8-diazaspiro[4.5]decane-8-carboxylic acid?
2-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,8-diazaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 395.46 g/mol, XLogP of 2.89, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,8-diazaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 68900468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).