N-(2-aminophenyl)-6-[1-[(2E,6Z)-octa-2,6-dien-4-yl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]pyridine-3-carboxamide

C27H34N6O2 — CID 143469870

IUPACN-(2-aminophenyl)-6-[1-[(2E,6Z)-octa-2,6-dien-4-yl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]pyridine-3-carboxamide
SMILESC/C=C\CC(/C=C/C)N1C(=O)NCC12CCN(c1ccc(C(=O)Nc3ccccc3N)cn1)CC2
InChIInChI=1S/C27H34N6O2/c1-3-5-9-21(8-4-2)33-26(35)30-19-27(33)14-16-32(17-15-27)24-13-12-20(18-29-24)25(34)31-23-11-7-6-10-22(23)28/h3-8,10-13,18,21H,9,14-17,19,28H2,1-2H3,(H,30,35)(H,31,34)/b5-3-,8-4+
InChIKeyKVBIJSSFPUBSCA-VOGDQUTBSA-N
MW474.61 g/mol
LogP4.19
Rot. Bonds7

About N-(2-aminophenyl)-6-[1-[(2E,6Z)-octa-2,6-dien-4-yl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]pyridine-3-carboxamide

N-(2-aminophenyl)-6-[1-[(2E,6Z)-octa-2,6-dien-4-yl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]pyridine-3-carboxamide (PubChem CID 143469870) has the molecular formula C27H34N6O2 and a molecular weight of 474.61 g/mol. Its IUPAC name is N-(2-aminophenyl)-6-[1-[(2E,6Z)-octa-2,6-dien-4-yl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-6-[1-[(2E,6Z)-octa-2,6-dien-4-yl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]pyridine-3-carboxamide
PubChem CID143469870
Molecular FormulaC27H34N6O2
Molecular Weight474.61 g/mol
Exact Mass474.27
IUPAC NameN-(2-aminophenyl)-6-[1-[(2E,6Z)-octa-2,6-dien-4-yl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]pyridine-3-carboxamide
SMILESC/C=C\CC(/C=C/C)N1C(=O)NCC12CCN(c1ccc(C(=O)Nc3ccccc3N)cn1)CC2
InChIInChI=1S/C27H34N6O2/c1-3-5-9-21(8-4-2)33-26(35)30-19-27(33)14-16-32(17-15-27)24-13-12-20(18-29-24)25(34)31-23-11-7-6-10-22(23)28/h3-8,10-13,18,21H,9,14-17,19,28H2,1-2H3,(H,30,35)(H,31,34)/b5-3-,8-4+
InChIKeyKVBIJSSFPUBSCA-VOGDQUTBSA-N
XLogP4.19
TPSA103.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-6-(1,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
CID 123593113
2-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,8-diazaspiro[4.5]decane-8-carboxylic acid
CID 68900468
(1S)-1'-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
CID 25009484
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
benzyl 7-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 24745586
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
tert-butyl (5R)-2-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 143469921
(2S)-4-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2-methyl-N-phenylpiperazine-1-carboxamide
CID 16662872
N-(2-aminophenyl)-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxamide
CID 16662758
tert-butyl 1'-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxylate
CID 25009486
N-[2-(2-aminoethylcarbamoyl)phenyl]-6-(azepan-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 120603494

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-6-[1-[(2E,6Z)-octa-2,6-dien-4-yl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]pyridine-3-carboxamide?
The IUPAC name of N-(2-aminophenyl)-6-[1-[(2E,6Z)-octa-2,6-dien-4-yl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]pyridine-3-carboxamide (CID 143469870) is N-(2-aminophenyl)-6-[1-[(2E,6Z)-octa-2,6-dien-4-yl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-6-[1-[(2E,6Z)-octa-2,6-dien-4-yl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-6-[1-[(2E,6Z)-octa-2,6-dien-4-yl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]pyridine-3-carboxamide is C/C=C\CC(/C=C/C)N1C(=O)NCC12CCN(c1ccc(C(=O)Nc3ccccc3N)cn1)CC2.
What is the InChIKey of N-(2-aminophenyl)-6-[1-[(2E,6Z)-octa-2,6-dien-4-yl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]pyridine-3-carboxamide?
The InChIKey is KVBIJSSFPUBSCA-VOGDQUTBSA-N. The full InChI is InChI=1S/C27H34N6O2/c1-3-5-9-21(8-4-2)33-26(35)30-19-27(33)14-16-32(17-15-27)24-13-12-20(18-29-24)25(34)31-23-11-7-6-10-22(23)28/h3-8,10-13,18,21H,9,14-17,19,28H2,1-2H3,(H,30,35)(H,31,34)/b5-3-,8-4+.
What are the key properties of N-(2-aminophenyl)-6-[1-[(2E,6Z)-octa-2,6-dien-4-yl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]pyridine-3-carboxamide?
N-(2-aminophenyl)-6-[1-[(2E,6Z)-octa-2,6-dien-4-yl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]pyridine-3-carboxamide has a molecular weight of 474.61 g/mol, XLogP of 4.19, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-6-[1-[(2E,6Z)-octa-2,6-dien-4-yl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]pyridine-3-carboxamide is sourced from PubChem (CID 143469870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).