N-(2-bromophenyl)-5-(tert-butylamino)pyrazine-2-carboxamide

C15H17BrN4O — CID 109287425

IUPACN-(2-bromophenyl)-5-(tert-butylamino)pyrazine-2-carboxamide
SMILESCC(C)(C)Nc1cnc(C(=O)Nc2ccccc2Br)cn1
InChIInChI=1S/C15H17BrN4O/c1-15(2,3)20-13-9-17-12(8-18-13)14(21)19-11-7-5-4-6-10(11)16/h4-9H,1-3H3,(H,18,20)(H,19,21)
InChIKeyYFWHTKDQOBBQCN-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.70
Rot. Bonds3

About N-(2-bromophenyl)-5-(tert-butylamino)pyrazine-2-carboxamide

N-(2-bromophenyl)-5-(tert-butylamino)pyrazine-2-carboxamide (PubChem CID 109287425) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is N-(2-bromophenyl)-5-(tert-butylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-5-(tert-butylamino)pyrazine-2-carboxamide
PubChem CID109287425
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC NameN-(2-bromophenyl)-5-(tert-butylamino)pyrazine-2-carboxamide
SMILESCC(C)(C)Nc1cnc(C(=O)Nc2ccccc2Br)cn1
InChIInChI=1S/C15H17BrN4O/c1-15(2,3)20-13-9-17-12(8-18-13)14(21)19-11-7-5-4-6-10(11)16/h4-9H,1-3H3,(H,18,20)(H,19,21)
InChIKeyYFWHTKDQOBBQCN-UHFFFAOYSA-N
XLogP3.70
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-bromophenyl)-5-(tert-butylamino)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

3-amino-6-methyl-N-pyridin-2-ylpyrazine-2-carboxamide
CID 11206949
N-(2-bromophenyl)-2-[4-(pyridin-2-yl)piperazin-1-yl]acetamide
CID 4207409
N-(4-bromophenyl)pyrazine-2-carboxamide
CID 279869
N-(5-bromo-6-methyl-2-pyridinyl)pyrazine-2-carboxamide
CID 2826197
6-Methyl-N-pyridin-2-ylpyrazine-2-carboxamide
CID 11171896
3-Amino-6-methyl-N-(6-methyl-2-pyridinyl)-2-pyrazinecarboxamide
CID 11402257
3-amino-6-bromo-N-pyridin-2-ylpyrazine-2-carboxamide
CID 11415160
3-amino-N-phenylpyrazine-2-carboxamide
CID 13141222
3-amino-6-bromo-N-phenylpyrazine-2-carboxamide
CID 52937148
N-[2-(2-bromoanilino)-2-oxoethyl]-5-methylpyrazine-2-carboxamide
CID 4795701
3-amino-N-(2-piperidin-1-ylphenyl)pyrazine-2-carboxamide
CID 76331961
3-amino-6-(3-bromophenyl)-N-butan-2-ylpyrazine-2-carboxamide
CID 122185566

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-5-(tert-butylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(2-bromophenyl)-5-(tert-butylamino)pyrazine-2-carboxamide (CID 109287425) is N-(2-bromophenyl)-5-(tert-butylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-5-(tert-butylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-5-(tert-butylamino)pyrazine-2-carboxamide is CC(C)(C)Nc1cnc(C(=O)Nc2ccccc2Br)cn1.
What is the InChIKey of N-(2-bromophenyl)-5-(tert-butylamino)pyrazine-2-carboxamide?
The InChIKey is YFWHTKDQOBBQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-15(2,3)20-13-9-17-12(8-18-13)14(21)19-11-7-5-4-6-10(11)16/h4-9H,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-(2-bromophenyl)-5-(tert-butylamino)pyrazine-2-carboxamide?
N-(2-bromophenyl)-5-(tert-butylamino)pyrazine-2-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-5-(tert-butylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109287425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).