5-(2-bromoanilino)-N-propan-2-ylpyrazine-2-carboxamide

C14H15BrN4O — CID 109271317

IUPAC5-(2-bromoanilino)-N-propan-2-ylpyrazine-2-carboxamide
SMILESCC(C)NC(=O)c1cnc(Nc2ccccc2Br)cn1
InChIInChI=1S/C14H15BrN4O/c1-9(2)18-14(20)12-7-17-13(8-16-12)19-11-6-4-3-5-10(11)15/h3-9H,1-2H3,(H,17,19)(H,18,20)
InChIKeyMIZNXQHSJIDJSF-UHFFFAOYSA-N
MW335.21 g/mol
LogP3.12
Rot. Bonds4

About 5-(2-bromoanilino)-N-propan-2-ylpyrazine-2-carboxamide

5-(2-bromoanilino)-N-propan-2-ylpyrazine-2-carboxamide (PubChem CID 109271317) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 5-(2-bromoanilino)-N-propan-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-bromoanilino)-N-propan-2-ylpyrazine-2-carboxamide
PubChem CID109271317
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name5-(2-bromoanilino)-N-propan-2-ylpyrazine-2-carboxamide
SMILESCC(C)NC(=O)c1cnc(Nc2ccccc2Br)cn1
InChIInChI=1S/C14H15BrN4O/c1-9(2)18-14(20)12-7-17-13(8-16-12)19-11-6-4-3-5-10(11)15/h3-9H,1-2H3,(H,17,19)(H,18,20)
InChIKeyMIZNXQHSJIDJSF-UHFFFAOYSA-N
XLogP3.12
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-bromoanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289697
5-(2-bromoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290079
5-(2-bromoanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271713
N-propan-2-yl-5-(quinolin-8-ylamino)pyrazine-2-carboxamide
CID 109271325
5-(2,6-difluoroanilino)-N-propan-2-ylpyrazine-2-carboxamide
CID 109271349
5-(2-bromoanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280063
5-(2-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109294393
5-(2-bromoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide
CID 109294390
5-(2-methylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280804
5-(2-bromoanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109294334
N-(1-phenylethyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109280820
5-hydrazinyl-N-propan-2-ylpyrazine-2-carboxamide
CID 107377682

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoanilino)-N-propan-2-ylpyrazine-2-carboxamide?
The IUPAC name of 5-(2-bromoanilino)-N-propan-2-ylpyrazine-2-carboxamide (CID 109271317) is 5-(2-bromoanilino)-N-propan-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-bromoanilino)-N-propan-2-ylpyrazine-2-carboxamide?
The canonical SMILES for 5-(2-bromoanilino)-N-propan-2-ylpyrazine-2-carboxamide is CC(C)NC(=O)c1cnc(Nc2ccccc2Br)cn1.
What is the InChIKey of 5-(2-bromoanilino)-N-propan-2-ylpyrazine-2-carboxamide?
The InChIKey is MIZNXQHSJIDJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-9(2)18-14(20)12-7-17-13(8-16-12)19-11-6-4-3-5-10(11)15/h3-9H,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 5-(2-bromoanilino)-N-propan-2-ylpyrazine-2-carboxamide?
5-(2-bromoanilino)-N-propan-2-ylpyrazine-2-carboxamide has a molecular weight of 335.21 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoanilino)-N-propan-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 109271317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).