N-(5-bromopyrazin-2-yl)-4-methylcyclohexane-1-carboxamide

C12H16BrN3O — CID 80502105

IUPACN-(5-bromopyrazin-2-yl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)Nc2cnc(Br)cn2)CC1
InChIInChI=1S/C12H16BrN3O/c1-8-2-4-9(5-3-8)12(17)16-11-7-14-10(13)6-15-11/h6-9H,2-5H2,1H3,(H,15,16,17)
InChIKeyYXCWCKFECNCPBL-UHFFFAOYSA-N
MW298.18 g/mol
LogP3.00
Rot. Bonds2

About N-(5-bromopyrazin-2-yl)-4-methylcyclohexane-1-carboxamide

N-(5-bromopyrazin-2-yl)-4-methylcyclohexane-1-carboxamide (PubChem CID 80502105) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is N-(5-bromopyrazin-2-yl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromopyrazin-2-yl)-4-methylcyclohexane-1-carboxamide
PubChem CID80502105
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC NameN-(5-bromopyrazin-2-yl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)Nc2cnc(Br)cn2)CC1
InChIInChI=1S/C12H16BrN3O/c1-8-2-4-9(5-3-8)12(17)16-11-7-14-10(13)6-15-11/h6-9H,2-5H2,1H3,(H,15,16,17)
InChIKeyYXCWCKFECNCPBL-UHFFFAOYSA-N
XLogP3.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloropyrazin-2-yl)-4-methylcyclohexane-1-carboxamide
CID 107595689
4-(aminomethyl)-N-(5-bromopyrazin-2-yl)cyclohexane-1-carboxamide
CID 79526691
N-(5-bromopyrazin-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475756
(3R)-N-(5-bromopyrazin-2-yl)piperidine-3-carboxamide
CID 81134417
N-(4-bromo-2-pyridinyl)-4-methylcyclohexane-1-carboxamide
CID 102674384
trans-(1S,3S)-3-methyl-N-(5-methyl-2-pyridinyl)cyclopentane-1-carboxamide
CID 58763333
N-(5-bromopyrazin-2-yl)-5-methylpyrazine-2-carboxamide
CID 115650022
trans-(1R,3R)-3-[(5-bromo-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 95401107
N-(6-bromopyrimidin-4-yl)cyclopropanecarboxamide
CID 176572417
N-(2-chloropyrimidin-4-yl)-4-methylcyclohexane-1-carboxamide
CID 116798469
N-(5-bromopyrazin-2-yl)-2-(thian-4-yl)acetamide
CID 80709427
N-(6-amino-3-pyridinyl)-4-methylcyclohexane-1-carboxamide
CID 81478295

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopyrazin-2-yl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(5-bromopyrazin-2-yl)-4-methylcyclohexane-1-carboxamide (CID 80502105) is N-(5-bromopyrazin-2-yl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-bromopyrazin-2-yl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(5-bromopyrazin-2-yl)-4-methylcyclohexane-1-carboxamide is CC1CCC(C(=O)Nc2cnc(Br)cn2)CC1.
What is the InChIKey of N-(5-bromopyrazin-2-yl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is YXCWCKFECNCPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c1-8-2-4-9(5-3-8)12(17)16-11-7-14-10(13)6-15-11/h6-9H,2-5H2,1H3,(H,15,16,17).
What are the key properties of N-(5-bromopyrazin-2-yl)-4-methylcyclohexane-1-carboxamide?
N-(5-bromopyrazin-2-yl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 298.18 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopyrazin-2-yl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 80502105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).