N-[2-(aminomethyl)cyclohexyl]pyrazine-2-carboxamide;dihydrochloride

C12H20Cl2N4O — CID 119611743

IUPACN-[2-(aminomethyl)cyclohexyl]pyrazine-2-carboxamide;dihydrochloride
SMILESCl.Cl.NCC1CCCCC1NC(=O)c1cnccn1
InChIInChI=1S/C12H18N4O.2ClH/c13-7-9-3-1-2-4-10(9)16-12(17)11-8-14-5-6-15-11;;/h5-6,8-10H,1-4,7,13H2,(H,16,17);2*1H
InChIKeyWCKYASBUXYYPCT-UHFFFAOYSA-N
MW307.23 g/mol
LogP1.57
Rot. Bonds3

About N-[2-(aminomethyl)cyclohexyl]pyrazine-2-carboxamide;dihydrochloride

N-[2-(aminomethyl)cyclohexyl]pyrazine-2-carboxamide;dihydrochloride (PubChem CID 119611743) has the molecular formula C12H20Cl2N4O and a molecular weight of 307.23 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]pyrazine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]pyrazine-2-carboxamide;dihydrochloride
PubChem CID119611743
Molecular FormulaC12H20Cl2N4O
Molecular Weight307.23 g/mol
Exact Mass306.10
IUPAC NameN-[2-(aminomethyl)cyclohexyl]pyrazine-2-carboxamide;dihydrochloride
SMILESCl.Cl.NCC1CCCCC1NC(=O)c1cnccn1
InChIInChI=1S/C12H18N4O.2ClH/c13-7-9-3-1-2-4-10(9)16-12(17)11-8-14-5-6-15-11;;/h5-6,8-10H,1-4,7,13H2,(H,16,17);2*1H
InChIKeyWCKYASBUXYYPCT-UHFFFAOYSA-N
XLogP1.57
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119612272
[2-(aminomethyl)cyclohexyl]-pyrazin-2-ylmethanone
CID 116584640
N-[2-(aminomethyl)cyclohexyl]-1,2-oxazole-3-carboxamide;hydrochloride
CID 119609735
N-[2-(aminomethyl)cyclopentyl]quinoxaline-2-carboxamide;dihydrochloride
CID 119600664
N-[2-(aminomethyl)cyclohexyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119612343
N-[2-(aminomethyl)cyclohexyl]-4-pyrazol-1-ylpyridine-2-carboxamide
CID 119609496
N-[(1R,2S)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexyl]pyrazine-2-carboxamide
CID 59007553
N-[2-(aminomethyl)cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide;hydrochloride
CID 119610682
N-(2-amino-1-cyclopropylethyl)pyrazine-2-carboxamide;dihydrochloride
CID 119616630
N-[2-(aminomethyl)cyclohexyl]isoquinoline-1-carboxamide;dihydrochloride
CID 119610583
N-[2-(aminomethyl)cyclohexyl]-2-benzyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119609820
N-[2-(aminomethyl)cyclohexyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 119611593

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]pyrazine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]pyrazine-2-carboxamide;dihydrochloride (CID 119611743) is N-[2-(aminomethyl)cyclohexyl]pyrazine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]pyrazine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]pyrazine-2-carboxamide;dihydrochloride is Cl.Cl.NCC1CCCCC1NC(=O)c1cnccn1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]pyrazine-2-carboxamide;dihydrochloride?
The InChIKey is WCKYASBUXYYPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O.2ClH/c13-7-9-3-1-2-4-10(9)16-12(17)11-8-14-5-6-15-11;;/h5-6,8-10H,1-4,7,13H2,(H,16,17);2*1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]pyrazine-2-carboxamide;dihydrochloride?
N-[2-(aminomethyl)cyclohexyl]pyrazine-2-carboxamide;dihydrochloride has a molecular weight of 307.23 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]pyrazine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119611743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).