5-(2-bromoanilino)-N-cyclopropylpyrazine-2-carboxamide

C14H13BrN4O — CID 109271713

IUPAC5-(2-bromoanilino)-N-cyclopropylpyrazine-2-carboxamide
SMILESO=C(NC1CC1)c1cnc(Nc2ccccc2Br)cn1
InChIInChI=1S/C14H13BrN4O/c15-10-3-1-2-4-11(10)19-13-8-16-12(7-17-13)14(20)18-9-5-6-9/h1-4,7-9H,5-6H2,(H,17,19)(H,18,20)
InChIKeyOVUVBYVEGZFVLZ-UHFFFAOYSA-N
MW333.19 g/mol
LogP2.87
Rot. Bonds4

About 5-(2-bromoanilino)-N-cyclopropylpyrazine-2-carboxamide

5-(2-bromoanilino)-N-cyclopropylpyrazine-2-carboxamide (PubChem CID 109271713) has the molecular formula C14H13BrN4O and a molecular weight of 333.19 g/mol. Its IUPAC name is 5-(2-bromoanilino)-N-cyclopropylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-bromoanilino)-N-cyclopropylpyrazine-2-carboxamide
PubChem CID109271713
Molecular FormulaC14H13BrN4O
Molecular Weight333.19 g/mol
Exact Mass332.03
IUPAC Name5-(2-bromoanilino)-N-cyclopropylpyrazine-2-carboxamide
SMILESO=C(NC1CC1)c1cnc(Nc2ccccc2Br)cn1
InChIInChI=1S/C14H13BrN4O/c15-10-3-1-2-4-11(10)19-13-8-16-12(7-17-13)14(20)18-9-5-6-9/h1-4,7-9H,5-6H2,(H,17,19)(H,18,20)
InChIKeyOVUVBYVEGZFVLZ-UHFFFAOYSA-N
XLogP2.87
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109273966
N-cyclohexyl-5-(2-fluoroanilino)pyrazine-2-carboxamide
CID 109274738
5-(3-bromo-4-methylanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271678
5-(2-bromoanilino)-N-propan-2-ylpyrazine-2-carboxamide
CID 109271317
5-(2-tert-butylanilino)-N-cycloheptylpyrazine-2-carboxamide
CID 109287489
5-(2-bromoanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289697
N-cyclopropyl-5-(2,6-dichloroanilino)pyrazine-2-carboxamide
CID 109271734
N-cyclopropyl-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
CID 109271723
5-(2-bromoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290079
5-(5-chloro-2-methylanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271670
5-(3-bromoanilino)-N-cyclopentylpyrazine-2-carboxamide
CID 109274039
5-(2-bromoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide
CID 109294390

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoanilino)-N-cyclopropylpyrazine-2-carboxamide?
The IUPAC name of 5-(2-bromoanilino)-N-cyclopropylpyrazine-2-carboxamide (CID 109271713) is 5-(2-bromoanilino)-N-cyclopropylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-bromoanilino)-N-cyclopropylpyrazine-2-carboxamide?
The canonical SMILES for 5-(2-bromoanilino)-N-cyclopropylpyrazine-2-carboxamide is O=C(NC1CC1)c1cnc(Nc2ccccc2Br)cn1.
What is the InChIKey of 5-(2-bromoanilino)-N-cyclopropylpyrazine-2-carboxamide?
The InChIKey is OVUVBYVEGZFVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O/c15-10-3-1-2-4-11(10)19-13-8-16-12(7-17-13)14(20)18-9-5-6-9/h1-4,7-9H,5-6H2,(H,17,19)(H,18,20).
What are the key properties of 5-(2-bromoanilino)-N-cyclopropylpyrazine-2-carboxamide?
5-(2-bromoanilino)-N-cyclopropylpyrazine-2-carboxamide has a molecular weight of 333.19 g/mol, XLogP of 2.87, 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-cyclopropylpyrazine-2-carboxamide is sourced from PubChem (CID 109271713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).