3-[(4-aminocyclohexyl)-methylamino]pyrazine-2-carboxamide

C12H19N5O — CID 79121190

IUPAC3-[(4-aminocyclohexyl)-methylamino]pyrazine-2-carboxamide
SMILESCN(c1nccnc1C(N)=O)C1CCC(N)CC1
InChIInChI=1S/C12H19N5O/c1-17(9-4-2-8(13)3-5-9)12-10(11(14)18)15-6-7-16-12/h6-9H,2-5,13H2,1H3,(H2,14,18)
InChIKeyHONWQWAGPSZMMC-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.28
Rot. Bonds3

About 3-[(4-aminocyclohexyl)-methylamino]pyrazine-2-carboxamide

3-[(4-aminocyclohexyl)-methylamino]pyrazine-2-carboxamide (PubChem CID 79121190) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-[(4-aminocyclohexyl)-methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[(4-aminocyclohexyl)-methylamino]pyrazine-2-carboxamide
PubChem CID79121190
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name3-[(4-aminocyclohexyl)-methylamino]pyrazine-2-carboxamide
SMILESCN(c1nccnc1C(N)=O)C1CCC(N)CC1
InChIInChI=1S/C12H19N5O/c1-17(9-4-2-8(13)3-5-9)12-10(11(14)18)15-6-7-16-12/h6-9H,2-5,13H2,1H3,(H2,14,18)
InChIKeyHONWQWAGPSZMMC-UHFFFAOYSA-N
XLogP0.28
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[methyl(oxan-4-yl)amino]pyrazine-2-carbothioamide
CID 55102848
3-[(2-amino-1-cyclopropylethyl)-methylamino]pyrazine-2-carboxamide
CID 116653439
2-[(4-aminocyclohexyl)-methylamino]-4,6-dimethylpyridine-3-carboxamide
CID 79115806
2-[cyclopentyl(methyl)amino]pyridine-3-carboxamide
CID 67508458
4-N-methyl-4-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine
CID 79115640
4-[(4-aminocyclohexyl)-methylamino]-N-methylpyridine-2-carboxamide
CID 79116085
3-[propyl(pyrrolidin-3-yl)amino]pyrazine-2-carboxamide
CID 63304442
3-N-(4-ethylcyclohexyl)-3-N-methylpyrazine-2,3-diamine
CID 102986160
3-[3-aminopropyl(methyl)amino]pyrazine-2-carboxamide
CID 115319430
5-amino-6-[cyclopropyl(methyl)amino]pyridine-2-carboxamide
CID 114405386
2-[(4-aminocyclohexyl)-methylamino]-6-chlorobenzamide
CID 79115109
4-N-methyl-4-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1,4-diamine
CID 104729261

Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminocyclohexyl)-methylamino]pyrazine-2-carboxamide?
The IUPAC name of 3-[(4-aminocyclohexyl)-methylamino]pyrazine-2-carboxamide (CID 79121190) is 3-[(4-aminocyclohexyl)-methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[(4-aminocyclohexyl)-methylamino]pyrazine-2-carboxamide?
The canonical SMILES for 3-[(4-aminocyclohexyl)-methylamino]pyrazine-2-carboxamide is CN(c1nccnc1C(N)=O)C1CCC(N)CC1.
What is the InChIKey of 3-[(4-aminocyclohexyl)-methylamino]pyrazine-2-carboxamide?
The InChIKey is HONWQWAGPSZMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-17(9-4-2-8(13)3-5-9)12-10(11(14)18)15-6-7-16-12/h6-9H,2-5,13H2,1H3,(H2,14,18).
What are the key properties of 3-[(4-aminocyclohexyl)-methylamino]pyrazine-2-carboxamide?
3-[(4-aminocyclohexyl)-methylamino]pyrazine-2-carboxamide has a molecular weight of 249.32 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminocyclohexyl)-methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 79121190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).