N-(2-adamantyl)-3-amino-6-bromopyrazine-2-carboxamide

C15H19BrN4O — CID 121005122

IUPACN-(2-adamantyl)-3-amino-6-bromopyrazine-2-carboxamide
SMILESNc1ncc(Br)nc1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H19BrN4O/c16-11-6-18-14(17)13(19-11)15(21)20-12-9-2-7-1-8(4-9)5-10(12)3-7/h6-10,12H,1-5H2,(H2,17,18)(H,20,21)
InChIKeyLWIADOXYIJINEQ-UHFFFAOYSA-N
MW351.25 g/mol
LogP2.38
Rot. Bonds2

About N-(2-adamantyl)-3-amino-6-bromopyrazine-2-carboxamide

N-(2-adamantyl)-3-amino-6-bromopyrazine-2-carboxamide (PubChem CID 121005122) has the molecular formula C15H19BrN4O and a molecular weight of 351.25 g/mol. Its IUPAC name is N-(2-adamantyl)-3-amino-6-bromopyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-3-amino-6-bromopyrazine-2-carboxamide
PubChem CID121005122
Molecular FormulaC15H19BrN4O
Molecular Weight351.25 g/mol
Exact Mass350.07
IUPAC NameN-(2-adamantyl)-3-amino-6-bromopyrazine-2-carboxamide
SMILESNc1ncc(Br)nc1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H19BrN4O/c16-11-6-18-14(17)13(19-11)15(21)20-12-9-2-7-1-8(4-9)5-10(12)3-7/h6-10,12H,1-5H2,(H2,17,18)(H,20,21)
InChIKeyLWIADOXYIJINEQ-UHFFFAOYSA-N
XLogP2.38
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-adamantyl)-2-aminobenzamide
CID 61214981
3-amino-6-bromo-N-(2-fluoroethyl)pyrazine-2-carboxamide
CID 126987543
N-(2-adamantyl)isoquinoline-1-carboxamide
CID 59799646
N-(2-adamantyl)isoquinoline-1-carboxamide;hydrochloride
CID 162309751
N-(2-adamantyl)-5-bromo-2-iodobenzamide
CID 103602440
3-amino-6-bromo-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 75512255
N-(2-adamantyl)-3-bromobenzamide
CID 771513
N-(2-adamantyl)-4-chloropyridine-3-carboxamide
CID 81230801
N-(2-adamantyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114325830
3-amino-N-[2-(4-aminopiperidin-1-yl)phenyl]-6-bromopyrazine-2-carboxamide
CID 88852598
3-amino-N-(5-hydroxy-2-adamantyl)-6-[1-(2-hydroxyethyl)indazol-6-yl]pyrazine-2-carboxamide
CID 176706136
3-amino-6-[1-(2-amino-2-oxoethyl)indol-6-yl]-N-(5-hydroxy-2-adamantyl)pyrazine-2-carboxamide
CID 176706138

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-3-amino-6-bromopyrazine-2-carboxamide?
The IUPAC name of N-(2-adamantyl)-3-amino-6-bromopyrazine-2-carboxamide (CID 121005122) is N-(2-adamantyl)-3-amino-6-bromopyrazine-2-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-3-amino-6-bromopyrazine-2-carboxamide?
The canonical SMILES for N-(2-adamantyl)-3-amino-6-bromopyrazine-2-carboxamide is Nc1ncc(Br)nc1C(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-3-amino-6-bromopyrazine-2-carboxamide?
The InChIKey is LWIADOXYIJINEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O/c16-11-6-18-14(17)13(19-11)15(21)20-12-9-2-7-1-8(4-9)5-10(12)3-7/h6-10,12H,1-5H2,(H2,17,18)(H,20,21).
What are the key properties of N-(2-adamantyl)-3-amino-6-bromopyrazine-2-carboxamide?
N-(2-adamantyl)-3-amino-6-bromopyrazine-2-carboxamide has a molecular weight of 351.25 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-3-amino-6-bromopyrazine-2-carboxamide is sourced from PubChem (CID 121005122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).