N-(2-aminophenyl)-6-(1,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide

C20H25N5O — CID 123593113

IUPACN-(2-aminophenyl)-6-(1,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
SMILESNc1ccccc1NC(=O)c1ccc(N2CCC3(CCCN3)CC2)nc1
InChIInChI=1S/C20H25N5O/c21-16-4-1-2-5-17(16)24-19(26)15-6-7-18(22-14-15)25-12-9-20(10-13-25)8-3-11-23-20/h1-2,4-7,14,23H,3,8-13,21H2,(H,24,26)
InChIKeyITCVSUVJEQGLBW-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.64
Rot. Bonds3

About N-(2-aminophenyl)-6-(1,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide

N-(2-aminophenyl)-6-(1,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide (PubChem CID 123593113) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(2-aminophenyl)-6-(1,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-6-(1,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
PubChem CID123593113
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-(2-aminophenyl)-6-(1,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
SMILESNc1ccccc1NC(=O)c1ccc(N2CCC3(CCCN3)CC2)nc1
InChIInChI=1S/C20H25N5O/c21-16-4-1-2-5-17(16)24-19(26)15-6-7-18(22-14-15)25-12-9-20(10-13-25)8-3-11-23-20/h1-2,4-7,14,23H,3,8-13,21H2,(H,24,26)
InChIKeyITCVSUVJEQGLBW-UHFFFAOYSA-N
XLogP2.64
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.64
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

2-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,8-diazaspiro[4.5]decane-8-carboxylic acid
CID 68900468
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
(1S)-1'-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
CID 25009484
N-(2-aminophenyl)-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxamide
CID 16662758
N-[2-(2-aminoethylcarbamoyl)phenyl]-6-(azepan-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 120603494
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
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
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
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 N-(2-aminophenyl)-6-(1,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-aminophenyl)-6-(1,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide (CID 123593113) is N-(2-aminophenyl)-6-(1,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-6-(1,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-6-(1,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide is Nc1ccccc1NC(=O)c1ccc(N2CCC3(CCCN3)CC2)nc1.
What is the InChIKey of N-(2-aminophenyl)-6-(1,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The InChIKey is ITCVSUVJEQGLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c21-16-4-1-2-5-17(16)24-19(26)15-6-7-18(22-14-15)25-12-9-20(10-13-25)8-3-11-23-20/h1-2,4-7,14,23H,3,8-13,21H2,(H,24,26).
What are the key properties of N-(2-aminophenyl)-6-(1,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
N-(2-aminophenyl)-6-(1,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.64, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-6-(1,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide is sourced from PubChem (CID 123593113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).