N-(3,4-dimethoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide

C17H22N4O4 — CID 109276326

IUPACN-(3,4-dimethoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
SMILESCOCCCNc1cnc(C(=O)Nc2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C17H22N4O4/c1-23-8-4-7-18-16-11-19-13(10-20-16)17(22)21-12-5-6-14(24-2)15(9-12)25-3/h5-6,9-11H,4,7-8H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyRGWLYQOXSRPLLS-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.19
Rot. Bonds9

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

N-(3,4-dimethoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide (PubChem CID 109276326) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
PubChem CID109276326
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC NameN-(3,4-dimethoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
SMILESCOCCCNc1cnc(C(=O)Nc2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C17H22N4O4/c1-23-8-4-7-18-16-11-19-13(10-20-16)17(22)21-12-5-6-14(24-2)15(9-12)25-3/h5-6,9-11H,4,7-8H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyRGWLYQOXSRPLLS-UHFFFAOYSA-N
XLogP2.19
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276313
N-(3-bromo-4-methylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276316
N-(3-chloro-4-methoxyphenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide
CID 109275950
N-(3,4-dimethoxyphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283984
N-(4-ethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276292
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276356
N-(3,4-dimethoxyphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271491
5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyrazine-2-carboxamide
CID 109276347
5-(ethylamino)-N-(3-fluoro-4-methoxyphenyl)pyrazine-2-carboxamide
CID 107374487
5-(3-methoxypropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109276297
N-(3-chloro-4-methoxyphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283971
2-(3,4-dimethoxyphenyl)-N-[5-(3-methoxypropylamino)-2-pyridinyl]acetamide
CID 113025196

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide (CID 109276326) is N-(3,4-dimethoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide is COCCCNc1cnc(C(=O)Nc2ccc(OC)c(OC)c2)cn1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide?
The InChIKey is RGWLYQOXSRPLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-23-8-4-7-18-16-11-19-13(10-20-16)17(22)21-12-5-6-14(24-2)15(9-12)25-3/h5-6,9-11H,4,7-8H2,1-3H3,(H,18,20)(H,21,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide?
N-(3,4-dimethoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.19, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109276326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).