5-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyrazine-2-carboxamide

C13H19N3O — CID 2677173

IUPAC5-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H]2CCCC[C@H]2C)cn1
InChIInChI=1S/C13H19N3O/c1-9-5-3-4-6-11(9)16-13(17)12-8-14-10(2)7-15-12/h7-9,11H,3-6H2,1-2H3,(H,16,17)/t9-,11-/m1/s1
InChIKeyQPNVAPBAQNRRPC-MWLCHTKSSA-N
MW233.31 g/mol
LogP2.09
Rot. Bonds2

About 5-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyrazine-2-carboxamide

5-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyrazine-2-carboxamide (PubChem CID 2677173) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyrazine-2-carboxamide
PubChem CID2677173
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name5-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H]2CCCC[C@H]2C)cn1
InChIInChI=1S/C13H19N3O/c1-9-5-3-4-6-11(9)16-13(17)12-8-14-10(2)7-15-12/h7-9,11H,3-6H2,1-2H3,(H,16,17)/t9-,11-/m1/s1
InChIKeyQPNVAPBAQNRRPC-MWLCHTKSSA-N
XLogP2.09
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylpyrazine-2-carboxamide
CID 51969442
5-chloro-N-(2-methylcyclopentyl)pyrazine-2-carboxamide
CID 103817301
5-methyl-N-(3-methylpiperidin-4-yl)pyrazine-2-carboxamide;dihydrochloride
CID 120557503
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2693229
6-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyridine-2-carboxamide
CID 31825212
N-[(1R,2R)-2-ethylsulfanylcyclopentyl]-5-methylpyrazine-2-carboxamide
CID 96526700
5-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclohexyl)pyridine-2-carboxamide
CID 77005250
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
5-methyl-N-(2-methylcyclohexyl)-1,2-oxazole-4-carboxamide
CID 54393495
4-amino-N-(2-methylcyclohexyl)pyridine-2-carboxamide
CID 62155915
5-methyl-N-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide
CID 91912940
N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-5-methylpyrazine-2-carboxamide
CID 128991055

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyrazine-2-carboxamide (CID 2677173) is 5-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)N[C@@H]2CCCC[C@H]2C)cn1.
What is the InChIKey of 5-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyrazine-2-carboxamide?
The InChIKey is QPNVAPBAQNRRPC-MWLCHTKSSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-5-3-4-6-11(9)16-13(17)12-8-14-10(2)7-15-12/h7-9,11H,3-6H2,1-2H3,(H,16,17)/t9-,11-/m1/s1.
What are the key properties of 5-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyrazine-2-carboxamide?
5-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyrazine-2-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyrazine-2-carboxamide is sourced from PubChem (CID 2677173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).