5-(3-bromo-4-methylanilino)-N-cyclopropylpyrazine-2-carboxamide

C15H15BrN4O — CID 109271678

IUPAC5-(3-bromo-4-methylanilino)-N-cyclopropylpyrazine-2-carboxamide
SMILESCc1ccc(Nc2cnc(C(=O)NC3CC3)cn2)cc1Br
InChIInChI=1S/C15H15BrN4O/c1-9-2-3-11(6-12(9)16)19-14-8-17-13(7-18-14)15(21)20-10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,19)(H,20,21)
InChIKeyPGSRTNVNRALYOK-UHFFFAOYSA-N
MW347.22 g/mol
LogP3.18
Rot. Bonds4

About 5-(3-bromo-4-methylanilino)-N-cyclopropylpyrazine-2-carboxamide

5-(3-bromo-4-methylanilino)-N-cyclopropylpyrazine-2-carboxamide (PubChem CID 109271678) has the molecular formula C15H15BrN4O and a molecular weight of 347.22 g/mol. Its IUPAC name is 5-(3-bromo-4-methylanilino)-N-cyclopropylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-bromo-4-methylanilino)-N-cyclopropylpyrazine-2-carboxamide
PubChem CID109271678
Molecular FormulaC15H15BrN4O
Molecular Weight347.22 g/mol
Exact Mass346.04
IUPAC Name5-(3-bromo-4-methylanilino)-N-cyclopropylpyrazine-2-carboxamide
SMILESCc1ccc(Nc2cnc(C(=O)NC3CC3)cn2)cc1Br
InChIInChI=1S/C15H15BrN4O/c1-9-2-3-11(6-12(9)16)19-14-8-17-13(7-18-14)15(21)20-10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,19)(H,20,21)
InChIKeyPGSRTNVNRALYOK-UHFFFAOYSA-N
XLogP3.18
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-acetamidoanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271696
5-(3-bromoanilino)-N-cyclopentylpyrazine-2-carboxamide
CID 109274039
N-(3-bromo-4-methylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290143
5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271673
5-(2-bromoanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271713
6-(3-bromo-4-methylanilino)-N-cyclopentyl-2-methylpyrimidine-4-carboxamide
CID 109363363
5-(5-chloro-2-methylanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271670
N-cyclohexyl-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide
CID 109274776
5-(3-acetylanilino)-N-cyclohexylpyrazine-2-carboxamide
CID 109274767
N-cyclopentyl-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109273966
5-(4-bromo-3-methylanilino)-N-tert-butylpyrazine-2-carboxamide
CID 109287309
N-cyclopentyl-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109274017

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-methylanilino)-N-cyclopropylpyrazine-2-carboxamide?
The IUPAC name of 5-(3-bromo-4-methylanilino)-N-cyclopropylpyrazine-2-carboxamide (CID 109271678) is 5-(3-bromo-4-methylanilino)-N-cyclopropylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-bromo-4-methylanilino)-N-cyclopropylpyrazine-2-carboxamide?
The canonical SMILES for 5-(3-bromo-4-methylanilino)-N-cyclopropylpyrazine-2-carboxamide is Cc1ccc(Nc2cnc(C(=O)NC3CC3)cn2)cc1Br.
What is the InChIKey of 5-(3-bromo-4-methylanilino)-N-cyclopropylpyrazine-2-carboxamide?
The InChIKey is PGSRTNVNRALYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O/c1-9-2-3-11(6-12(9)16)19-14-8-17-13(7-18-14)15(21)20-10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 5-(3-bromo-4-methylanilino)-N-cyclopropylpyrazine-2-carboxamide?
5-(3-bromo-4-methylanilino)-N-cyclopropylpyrazine-2-carboxamide has a molecular weight of 347.22 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-methylanilino)-N-cyclopropylpyrazine-2-carboxamide is sourced from PubChem (CID 109271678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).