N-[(1R)-1-(4-bromophenyl)propyl]-5-methylpyrazine-2-carboxamide

C15H16BrN3O — CID 26177836

IUPACN-[(1R)-1-(4-bromophenyl)propyl]-5-methylpyrazine-2-carboxamide
SMILESCC[C@@H](NC(=O)c1cnc(C)cn1)c1ccc(Br)cc1
InChIInChI=1S/C15H16BrN3O/c1-3-13(11-4-6-12(16)7-5-11)19-15(20)14-9-17-10(2)8-18-14/h4-9,13H,3H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeySGLXYJAFJLYZPQ-CYBMUJFWSA-N
MW334.22 g/mol
LogP3.43
Rot. Bonds4

About N-[(1R)-1-(4-bromophenyl)propyl]-5-methylpyrazine-2-carboxamide

N-[(1R)-1-(4-bromophenyl)propyl]-5-methylpyrazine-2-carboxamide (PubChem CID 26177836) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)propyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)propyl]-5-methylpyrazine-2-carboxamide
PubChem CID26177836
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC NameN-[(1R)-1-(4-bromophenyl)propyl]-5-methylpyrazine-2-carboxamide
SMILESCC[C@@H](NC(=O)c1cnc(C)cn1)c1ccc(Br)cc1
InChIInChI=1S/C15H16BrN3O/c1-3-13(11-4-6-12(16)7-5-11)19-15(20)14-9-17-10(2)8-18-14/h4-9,13H,3H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeySGLXYJAFJLYZPQ-CYBMUJFWSA-N
XLogP3.43
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-bromophenyl)propyl]-4-chloro-6-methylpyridine-3-carboxamide
CID 81229401
(3R)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
CID 95774886
N-[1-(4-bromophenyl)propyl]-6-chloropyrazine-2-carboxamide
CID 106550859
N-[1-(4-bromophenyl)propyl]-6-chloropyridazine-3-carboxamide
CID 61041098
3,5-dibromo-N-[1-(4-bromophenyl)propyl]benzamide
CID 107980228
N-[1,2-bis(4-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 46820307
2-amino-N-[1-(4-bromophenyl)propyl]-1,3-thiazole-4-carboxamide
CID 62787341
N-[(1S)-1-(4-bromophenyl)propyl]benzamide
CID 26776311
propan-2-yl (3S)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoate
CID 26069709
N-[(1R)-2-ethyl-1-phenylbutyl]-5-methylpyrazine-2-carboxamide
CID 129102829
N-[1-(4-bromophenyl)propyl]-1,3-thiazole-5-carboxamide
CID 17399690
(3R)-3-(3,4-dimethoxyphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
CID 95774883

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)propyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)propyl]-5-methylpyrazine-2-carboxamide (CID 26177836) is N-[(1R)-1-(4-bromophenyl)propyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)propyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)propyl]-5-methylpyrazine-2-carboxamide is CC[C@@H](NC(=O)c1cnc(C)cn1)c1ccc(Br)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)propyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is SGLXYJAFJLYZPQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-3-13(11-4-6-12(16)7-5-11)19-15(20)14-9-17-10(2)8-18-14/h4-9,13H,3H2,1-2H3,(H,19,20)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)propyl]-5-methylpyrazine-2-carboxamide?
N-[(1R)-1-(4-bromophenyl)propyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 334.22 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)propyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 26177836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).