5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyrazine-2-carboxamide

C21H22N4O3 — CID 109276347

IUPAC5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyrazine-2-carboxamide
SMILESCOCCCNc1cnc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cn1
InChIInChI=1S/C21H22N4O3/c1-27-13-5-12-22-20-15-23-19(14-24-20)21(26)25-16-8-10-18(11-9-16)28-17-6-3-2-4-7-17/h2-4,6-11,14-15H,5,12-13H2,1H3,(H,22,24)(H,25,26)
InChIKeyDDVXRSPBZUFPJL-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.97
Rot. Bonds9

About 5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyrazine-2-carboxamide

5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyrazine-2-carboxamide (PubChem CID 109276347) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyrazine-2-carboxamide
PubChem CID109276347
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyrazine-2-carboxamide
SMILESCOCCCNc1cnc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cn1
InChIInChI=1S/C21H22N4O3/c1-27-13-5-12-22-20-15-23-19(14-24-20)21(26)25-16-8-10-18(11-9-16)28-17-6-3-2-4-7-17/h2-4,6-11,14-15H,5,12-13H2,1H3,(H,22,24)(H,25,26)
InChIKeyDDVXRSPBZUFPJL-UHFFFAOYSA-N
XLogP3.97
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109184521
5-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)pyrazine-2-carboxamide
CID 109277421
N-(4-ethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276292
5-(2-methoxyethylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109184158
N-(3-bromo-4-methylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276316
N-(3,4-dimethoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276326
N-(3-chloro-4-methoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276313
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276356
N-(4-tert-butylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287084
6-(3-methoxypropylamino)-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide
CID 109114229
6-(pentylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109354484
5-(3-methoxypropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109276297

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyrazine-2-carboxamide (CID 109276347) is 5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyrazine-2-carboxamide is COCCCNc1cnc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cn1.
What is the InChIKey of 5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is DDVXRSPBZUFPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-27-13-5-12-22-20-15-23-19(14-24-20)21(26)25-16-8-10-18(11-9-16)28-17-6-3-2-4-7-17/h2-4,6-11,14-15H,5,12-13H2,1H3,(H,22,24)(H,25,26).
What are the key properties of 5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyrazine-2-carboxamide?
5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyrazine-2-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.97, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109276347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).