4-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxamide

C12H18N4O2 — CID 55130606

IUPAC4-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxamide
SMILESCn1ccnc(NC2CCC(C(N)=O)CC2)c1=O
InChIInChI=1S/C12H18N4O2/c1-16-7-6-14-11(12(16)18)15-9-4-2-8(3-5-9)10(13)17/h6-9H,2-5H2,1H3,(H2,13,17)(H,14,15)
InChIKeyIGIKANCDALUHCK-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.24
Rot. Bonds3

About 4-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxamide

4-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxamide (PubChem CID 55130606) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxamide
PubChem CID55130606
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxamide
SMILESCn1ccnc(NC2CCC(C(N)=O)CC2)c1=O
InChIInChI=1S/C12H18N4O2/c1-16-7-6-14-11(12(16)18)15-9-4-2-8(3-5-9)10(13)17/h6-9H,2-5H2,1H3,(H2,13,17)(H,14,15)
InChIKeyIGIKANCDALUHCK-UHFFFAOYSA-N
XLogP0.24
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-oxoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide
CID 69492524
N-(2-aminoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide
CID 69492528
N-(2-amino-2-oxoethyl)-4-(2-propan-2-yl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide
CID 69527259
3-[(2-Ethylcyclohexyl)amino]-1-methylpyrazin-2-one
CID 55130793
1-Ethyl-3-[(2-methylcyclohexyl)amino]pyrazin-2-one
CID 55154872
1-Cyclopropyl-3-[(4-methylcyclohexyl)amino]pyrazin-2-one
CID 55155641
3-(1-Cyclohexylethylamino)-1-propan-2-ylpyrazin-2-one
CID 55155652
3-(1-Cyclohexylpropylamino)-1-ethylpyrazin-2-one
CID 55155653
1-Tert-butyl-3-[(4-methylcyclohexyl)amino]pyrazin-2-one
CID 55155831
1-Ethyl-3-[(3-methylcyclohexyl)amino]pyrazin-2-one
CID 55156604
3-[(4-Ethylcyclohexyl)amino]-1-propan-2-ylpyrazin-2-one
CID 55157566
3-[[1-(Aminomethyl)-4-methylcyclohexyl]amino]-1-methylpyrazin-2-one
CID 55242191

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxamide (CID 55130606) is 4-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxamide is Cn1ccnc(NC2CCC(C(N)=O)CC2)c1=O.
What is the InChIKey of 4-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxamide?
The InChIKey is IGIKANCDALUHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-16-7-6-14-11(12(16)18)15-9-4-2-8(3-5-9)10(13)17/h6-9H,2-5H2,1H3,(H2,13,17)(H,14,15).
What are the key properties of 4-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxamide?
4-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 55130606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).