N-(3-bromo-4-methylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide

C16H19BrN4O2 — CID 109276316

IUPACN-(3-bromo-4-methylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
SMILESCOCCCNc1cnc(C(=O)Nc2ccc(C)c(Br)c2)cn1
InChIInChI=1S/C16H19BrN4O2/c1-11-4-5-12(8-13(11)17)21-16(22)14-9-20-15(10-19-14)18-6-3-7-23-2/h4-5,8-10H,3,6-7H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyOSYHALWYINNRGG-UHFFFAOYSA-N
MW379.26 g/mol
LogP3.25
Rot. Bonds7

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

N-(3-bromo-4-methylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide (PubChem CID 109276316) has the molecular formula C16H19BrN4O2 and a molecular weight of 379.26 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
PubChem CID109276316
Molecular FormulaC16H19BrN4O2
Molecular Weight379.26 g/mol
Exact Mass378.07
IUPAC NameN-(3-bromo-4-methylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
SMILESCOCCCNc1cnc(C(=O)Nc2ccc(C)c(Br)c2)cn1
InChIInChI=1S/C16H19BrN4O2/c1-11-4-5-12(8-13(11)17)21-16(22)14-9-20-15(10-19-14)18-6-3-7-23-2/h4-5,8-10H,3,6-7H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyOSYHALWYINNRGG-UHFFFAOYSA-N
XLogP3.25
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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-(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
5-(3-methoxypropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109276297
N-(2,4-dimethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276285
5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyrazine-2-carboxamide
CID 109276347
N-(3-bromo-4-methylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290143
N-(3-bromo-4-methylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109283148
N-(3-bromo-4-methylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
CID 109283435
N-(3-bromo-4-methylphenyl)-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109113829
N-(3-chloro-4-methoxyphenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide
CID 109275950

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide (CID 109276316) is N-(3-bromo-4-methylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide is COCCCNc1cnc(C(=O)Nc2ccc(C)c(Br)c2)cn1.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide?
The InChIKey is OSYHALWYINNRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O2/c1-11-4-5-12(8-13(11)17)21-16(22)14-9-20-15(10-19-14)18-6-3-7-23-2/h4-5,8-10H,3,6-7H2,1-2H3,(H,18,20)(H,21,22).
What are the key properties of N-(3-bromo-4-methylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide?
N-(3-bromo-4-methylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide has a molecular weight of 379.26 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109276316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).