N-(2-amino-5-phenylphenyl)-6-(2-butanoyl-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxamide

C30H35N5O2 — CID 58234893

IUPACN-(2-amino-5-phenylphenyl)-6-(2-butanoyl-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxamide
SMILESCCCC(=O)N1CCC2(CCCN(c3ccc(C(=O)Nc4cc(-c5ccccc5)ccc4N)cn3)C2)C1
InChIInChI=1S/C30H35N5O2/c1-2-7-28(36)35-17-15-30(21-35)14-6-16-34(20-30)27-13-11-24(19-32-27)29(37)33-26-18-23(10-12-25(26)31)22-8-4-3-5-9-22/h3-5,8-13,18-19H,2,6-7,14-17,20-21,31H2,1H3,(H,33,37)
InChIKeyGNHHULLRKUBYBW-UHFFFAOYSA-N
MW497.64 g/mol
LogP5.20
Rot. Bonds6

About N-(2-amino-5-phenylphenyl)-6-(2-butanoyl-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxamide

N-(2-amino-5-phenylphenyl)-6-(2-butanoyl-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxamide (PubChem CID 58234893) has the molecular formula C30H35N5O2 and a molecular weight of 497.64 g/mol. Its IUPAC name is N-(2-amino-5-phenylphenyl)-6-(2-butanoyl-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-phenylphenyl)-6-(2-butanoyl-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxamide
PubChem CID58234893
Molecular FormulaC30H35N5O2
Molecular Weight497.64 g/mol
Exact Mass497.28
IUPAC NameN-(2-amino-5-phenylphenyl)-6-(2-butanoyl-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxamide
SMILESCCCC(=O)N1CCC2(CCCN(c3ccc(C(=O)Nc4cc(-c5ccccc5)ccc4N)cn3)C2)C1
InChIInChI=1S/C30H35N5O2/c1-2-7-28(36)35-17-15-30(21-35)14-6-16-34(20-30)27-13-11-24(19-32-27)29(37)33-26-18-23(10-12-25(26)31)22-8-4-3-5-9-22/h3-5,8-13,18-19H,2,6-7,14-17,20-21,31H2,1H3,(H,33,37)
InChIKeyGNHHULLRKUBYBW-UHFFFAOYSA-N
XLogP5.20
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.64
LogP ≤ 55.20
H-Bond Donors ≤ 52
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
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-thiophen-2-ylphenyl)-6-(4,4-dimethyl-1,4-azasilinan-1-yl)pyridine-3-carboxamide
CID 25184385
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-phenylphenyl)-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide
CID 59737305
6-(4-butanoylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 83967770
ethyl 1-[5-[(3-methyl-4-phenylphenyl)carbamoyl]-2-pyridinyl]piperidine-4-carboxylate
CID 59318171

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-phenylphenyl)-6-(2-butanoyl-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-5-phenylphenyl)-6-(2-butanoyl-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxamide (CID 58234893) is N-(2-amino-5-phenylphenyl)-6-(2-butanoyl-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-5-phenylphenyl)-6-(2-butanoyl-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-5-phenylphenyl)-6-(2-butanoyl-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxamide is CCCC(=O)N1CCC2(CCCN(c3ccc(C(=O)Nc4cc(-c5ccccc5)ccc4N)cn3)C2)C1.
What is the InChIKey of N-(2-amino-5-phenylphenyl)-6-(2-butanoyl-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxamide?
The InChIKey is GNHHULLRKUBYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O2/c1-2-7-28(36)35-17-15-30(21-35)14-6-16-34(20-30)27-13-11-24(19-32-27)29(37)33-26-18-23(10-12-25(26)31)22-8-4-3-5-9-22/h3-5,8-13,18-19H,2,6-7,14-17,20-21,31H2,1H3,(H,33,37).
What are the key properties of N-(2-amino-5-phenylphenyl)-6-(2-butanoyl-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxamide?
N-(2-amino-5-phenylphenyl)-6-(2-butanoyl-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxamide has a molecular weight of 497.64 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-phenylphenyl)-6-(2-butanoyl-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxamide is sourced from PubChem (CID 58234893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).