4-(aminomethyl)-N-(5-bromopyrazin-2-yl)cyclohexane-1-carboxamide

C12H17BrN4O — CID 79526691

IUPAC4-(aminomethyl)-N-(5-bromopyrazin-2-yl)cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)Nc2cnc(Br)cn2)CC1
InChIInChI=1S/C12H17BrN4O/c13-10-6-16-11(7-15-10)17-12(18)9-3-1-8(5-14)2-4-9/h6-9H,1-5,14H2,(H,16,17,18)
InChIKeyPXBODZROBAJXAD-UHFFFAOYSA-N
MW313.20 g/mol
LogP1.94
Rot. Bonds3

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

4-(aminomethyl)-N-(5-bromopyrazin-2-yl)cyclohexane-1-carboxamide (PubChem CID 79526691) has the molecular formula C12H17BrN4O and a molecular weight of 313.20 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(5-bromopyrazin-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(5-bromopyrazin-2-yl)cyclohexane-1-carboxamide
PubChem CID79526691
Molecular FormulaC12H17BrN4O
Molecular Weight313.20 g/mol
Exact Mass312.06
IUPAC Name4-(aminomethyl)-N-(5-bromopyrazin-2-yl)cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)Nc2cnc(Br)cn2)CC1
InChIInChI=1S/C12H17BrN4O/c13-10-6-16-11(7-15-10)17-12(18)9-3-1-8(5-14)2-4-9/h6-9H,1-5,14H2,(H,16,17,18)
InChIKeyPXBODZROBAJXAD-UHFFFAOYSA-N
XLogP1.94
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromopyrazin-2-yl)-4-methylcyclohexane-1-carboxamide
CID 80502105
(3R)-N-(5-bromopyrazin-2-yl)piperidine-3-carboxamide
CID 81134417
4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)cyclohexane-1-carboxamide
CID 104963823
N-(5-bromopyrazin-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475756
N-(5-bromopyrazin-2-yl)-2-(thian-4-yl)acetamide
CID 80709427
4-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide
CID 79526653
4-(aminomethyl)-N-(5-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 79527030
N-(6-bromopyrimidin-4-yl)cyclopropanecarboxamide
CID 176572417
N-(5-bromopyrazin-2-yl)-2,6-difluorocyclohexa-2,4-diene-1-carboxamide
CID 144761307
4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
CID 104963779
4-(aminomethyl)-N-(2,3-dioxo-1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide
CID 18998596
4-(aminomethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)cyclohexane-1-carboxamide;hydrate;dihydrobromide
CID 22353672

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(5-bromopyrazin-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(5-bromopyrazin-2-yl)cyclohexane-1-carboxamide (CID 79526691) is 4-(aminomethyl)-N-(5-bromopyrazin-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(5-bromopyrazin-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(5-bromopyrazin-2-yl)cyclohexane-1-carboxamide is NCC1CCC(C(=O)Nc2cnc(Br)cn2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(5-bromopyrazin-2-yl)cyclohexane-1-carboxamide?
The InChIKey is PXBODZROBAJXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4O/c13-10-6-16-11(7-15-10)17-12(18)9-3-1-8(5-14)2-4-9/h6-9H,1-5,14H2,(H,16,17,18).
What are the key properties of 4-(aminomethyl)-N-(5-bromopyrazin-2-yl)cyclohexane-1-carboxamide?
4-(aminomethyl)-N-(5-bromopyrazin-2-yl)cyclohexane-1-carboxamide has a molecular weight of 313.20 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(5-bromopyrazin-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79526691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).