5-bromo-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide

C12H11BrN4O — CID 62954782

IUPAC5-bromo-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
SMILESCc1cnc(CNC(=O)c2ccc(Br)cn2)cn1
InChIInChI=1S/C12H11BrN4O/c1-8-4-15-10(6-14-8)7-17-12(18)11-3-2-9(13)5-16-11/h2-6H,7H2,1H3,(H,17,18)
InChIKeyDLBDMLGOVYSOBD-UHFFFAOYSA-N
MW307.15 g/mol
LogP1.87
Rot. Bonds3

About 5-bromo-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide

5-bromo-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 62954782) has the molecular formula C12H11BrN4O and a molecular weight of 307.15 g/mol. Its IUPAC name is 5-bromo-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
PubChem CID62954782
Molecular FormulaC12H11BrN4O
Molecular Weight307.15 g/mol
Exact Mass306.01
IUPAC Name5-bromo-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
SMILESCc1cnc(CNC(=O)c2ccc(Br)cn2)cn1
InChIInChI=1S/C12H11BrN4O/c1-8-4-15-10(6-14-8)7-17-12(18)11-3-2-9(13)5-16-11/h2-6H,7H2,1H3,(H,17,18)
InChIKeyDLBDMLGOVYSOBD-UHFFFAOYSA-N
XLogP1.87
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
CID 104641171
N-[(5-methylpyrazin-2-yl)methyl]-5-(propylamino)pyridine-2-carboxamide
CID 104641173
2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 114019978
3,5-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 114023576
4-amino-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
CID 62841400
5-chloro-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617679
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridine-2-carboxamide
CID 62998517
5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 113245137
5-bromo-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide
CID 62998781
N-[(5-bromothiophen-2-yl)methyl]-5-methylpyrazine-2-carboxamide
CID 33295313
5-amino-2-bromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62846960
2-N-[(5-methylpyrazin-2-yl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 25023988

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide (CID 62954782) is 5-bromo-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide is Cc1cnc(CNC(=O)c2ccc(Br)cn2)cn1.
What is the InChIKey of 5-bromo-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide?
The InChIKey is DLBDMLGOVYSOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O/c1-8-4-15-10(6-14-8)7-17-12(18)11-3-2-9(13)5-16-11/h2-6H,7H2,1H3,(H,17,18).
What are the key properties of 5-bromo-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide?
5-bromo-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide has a molecular weight of 307.15 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 62954782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).