N-(2-aminophenyl)-5-(4-quinoxalin-2-ylpyrazol-1-yl)pentanamide

C22H22N6O — CID 175695211

IUPACN-(2-aminophenyl)-5-(4-quinoxalin-2-ylpyrazol-1-yl)pentanamide
SMILESNc1ccccc1NC(=O)CCCCn1cc(-c2cnc3ccccc3n2)cn1
InChIInChI=1S/C22H22N6O/c23-17-7-1-2-8-18(17)27-22(29)11-5-6-12-28-15-16(13-25-28)21-14-24-19-9-3-4-10-20(19)26-21/h1-4,7-10,13-15H,5-6,11-12,23H2,(H,27,29)
InChIKeyNHXNTICUTXVTLV-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.88
Rot. Bonds7

About N-(2-aminophenyl)-5-(4-quinoxalin-2-ylpyrazol-1-yl)pentanamide

N-(2-aminophenyl)-5-(4-quinoxalin-2-ylpyrazol-1-yl)pentanamide (PubChem CID 175695211) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-(4-quinoxalin-2-ylpyrazol-1-yl)pentanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5-(4-quinoxalin-2-ylpyrazol-1-yl)pentanamide
PubChem CID175695211
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC NameN-(2-aminophenyl)-5-(4-quinoxalin-2-ylpyrazol-1-yl)pentanamide
SMILESNc1ccccc1NC(=O)CCCCn1cc(-c2cnc3ccccc3n2)cn1
InChIInChI=1S/C22H22N6O/c23-17-7-1-2-8-18(17)27-22(29)11-5-6-12-28-15-16(13-25-28)21-14-24-19-9-3-4-10-20(19)26-21/h1-4,7-10,13-15H,5-6,11-12,23H2,(H,27,29)
InChIKeyNHXNTICUTXVTLV-UHFFFAOYSA-N
XLogP3.88
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-5-[4-[7-(N-ethyl-3,5-dimethoxyanilino)quinoxalin-2-yl]pyrazol-1-yl]pentanamide
CID 175120715
N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 58982081
1-[propyl-[3-(4-quinoxalin-2-ylpyrazol-1-yl)propyl]amino]ethanol
CID 166993484
N-(2-aminophenyl)-7-oxoheptanamide
CID 143955349
N-[5-(2-aminoanilino)-5-oxopentyl]benzamide
CID 155547009
N-(2-aminophenyl)octadecanamide
CID 68839220
6-[4-(8-methylquinoxalin-2-yl)pyrazol-1-yl]hexylcarbamic acid
CID 174190296
N-(2-aminophenyl)-4-(3,5-dimethyl-1,2,4-triazol-1-yl)butanamide
CID 61346705
N-(2-aminophenyl)-8-(1-methylindol-2-yl)-8-oxooctanamide
CID 159145290
N-(2-aminophenyl)-5-methoxypentanamide
CID 119422437
N-(2-aminophenyl)-7-oxo-7-phenylheptanamide
CID 155558642
N-(2-aminophenyl)-3-(1,3-dihydroisoindol-2-yl)propanamide
CID 62206919

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-(4-quinoxalin-2-ylpyrazol-1-yl)pentanamide?
The IUPAC name of N-(2-aminophenyl)-5-(4-quinoxalin-2-ylpyrazol-1-yl)pentanamide (CID 175695211) is N-(2-aminophenyl)-5-(4-quinoxalin-2-ylpyrazol-1-yl)pentanamide.
What is the SMILES notation for N-(2-aminophenyl)-5-(4-quinoxalin-2-ylpyrazol-1-yl)pentanamide?
The canonical SMILES for N-(2-aminophenyl)-5-(4-quinoxalin-2-ylpyrazol-1-yl)pentanamide is Nc1ccccc1NC(=O)CCCCn1cc(-c2cnc3ccccc3n2)cn1.
What is the InChIKey of N-(2-aminophenyl)-5-(4-quinoxalin-2-ylpyrazol-1-yl)pentanamide?
The InChIKey is NHXNTICUTXVTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c23-17-7-1-2-8-18(17)27-22(29)11-5-6-12-28-15-16(13-25-28)21-14-24-19-9-3-4-10-20(19)26-21/h1-4,7-10,13-15H,5-6,11-12,23H2,(H,27,29).
What are the key properties of N-(2-aminophenyl)-5-(4-quinoxalin-2-ylpyrazol-1-yl)pentanamide?
N-(2-aminophenyl)-5-(4-quinoxalin-2-ylpyrazol-1-yl)pentanamide has a molecular weight of 386.46 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-5-(4-quinoxalin-2-ylpyrazol-1-yl)pentanamide is sourced from PubChem (CID 175695211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).