N-(4-bromophenyl)-5-(methylamino)pyrazine-2-carboxamide

C12H11BrN4O — CID 107374238

IUPACN-(4-bromophenyl)-5-(methylamino)pyrazine-2-carboxamide
SMILESCNc1cnc(C(=O)Nc2ccc(Br)cc2)cn1
InChIInChI=1S/C12H11BrN4O/c1-14-11-7-15-10(6-16-11)12(18)17-9-4-2-8(13)3-5-9/h2-7H,1H3,(H,14,16)(H,17,18)
InChIKeyGEBZJCUEAFQGBW-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.53
Rot. Bonds3

About N-(4-bromophenyl)-5-(methylamino)pyrazine-2-carboxamide

N-(4-bromophenyl)-5-(methylamino)pyrazine-2-carboxamide (PubChem CID 107374238) has the molecular formula C12H11BrN4O and a molecular weight of 307.15 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-(methylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-(methylamino)pyrazine-2-carboxamide
PubChem CID107374238
Molecular FormulaC12H11BrN4O
Molecular Weight307.15 g/mol
Exact Mass306.01
IUPAC NameN-(4-bromophenyl)-5-(methylamino)pyrazine-2-carboxamide
SMILESCNc1cnc(C(=O)Nc2ccc(Br)cc2)cn1
InChIInChI=1S/C12H11BrN4O/c1-14-11-7-15-10(6-16-11)12(18)17-9-4-2-8(13)3-5-9/h2-7H,1H3,(H,14,16)(H,17,18)
InChIKeyGEBZJCUEAFQGBW-UHFFFAOYSA-N
XLogP2.53
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107377733
5-(methylamino)-N-pyridin-4-ylpyrazine-2-carboxamide
CID 107374325
N-(4-bromo-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107373971
5-amino-N-(4-bromophenyl)pyrazine-2-carboxamide
CID 113381818
5-(methylamino)-N-(4-propoxyphenyl)pyrazine-2-carboxamide
CID 107375410
5-(methylamino)-N-(5-methyl-3-pyridinyl)pyrazine-2-carboxamide
CID 107586715
N-(4-bromophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283719
N-(4-bromophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109293359
5-bromo-N-[4-(methylcarbamoylamino)phenyl]pyridine-2-carboxamide
CID 62954926
5-(4-bromoanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109291484
5-(2-bromoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290079
5-(4-bromoanilino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109272071

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-(methylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(4-bromophenyl)-5-(methylamino)pyrazine-2-carboxamide (CID 107374238) is N-(4-bromophenyl)-5-(methylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-5-(methylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-5-(methylamino)pyrazine-2-carboxamide is CNc1cnc(C(=O)Nc2ccc(Br)cc2)cn1.
What is the InChIKey of N-(4-bromophenyl)-5-(methylamino)pyrazine-2-carboxamide?
The InChIKey is GEBZJCUEAFQGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O/c1-14-11-7-15-10(6-16-11)12(18)17-9-4-2-8(13)3-5-9/h2-7H,1H3,(H,14,16)(H,17,18).
What are the key properties of N-(4-bromophenyl)-5-(methylamino)pyrazine-2-carboxamide?
N-(4-bromophenyl)-5-(methylamino)pyrazine-2-carboxamide has a molecular weight of 307.15 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-(methylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 107374238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).