N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylpyrazine-2-carboxamide

C14H21N3O — CID 51969442

IUPACN-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cn1
InChIInChI=1S/C14H21N3O/c1-9-5-4-6-12(11(9)3)17-14(18)13-8-15-10(2)7-16-13/h7-9,11-12H,4-6H2,1-3H3,(H,17,18)/t9-,11-,12+/m0/s1
InChIKeyDFVYSXFNAAXTPS-ZMLRMANQSA-N
MW247.34 g/mol
LogP2.34
Rot. Bonds2

About N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylpyrazine-2-carboxamide

N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylpyrazine-2-carboxamide (PubChem CID 51969442) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylpyrazine-2-carboxamide
PubChem CID51969442
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cn1
InChIInChI=1S/C14H21N3O/c1-9-5-4-6-12(11(9)3)17-14(18)13-8-15-10(2)7-16-13/h7-9,11-12H,4-6H2,1-3H3,(H,17,18)/t9-,11-,12+/m0/s1
InChIKeyDFVYSXFNAAXTPS-ZMLRMANQSA-N
XLogP2.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyrazine-2-carboxamide
CID 2677173
[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7112597
5-chloro-N-(2-methylcyclopentyl)pyrazine-2-carboxamide
CID 103817301
5-methyl-N-(3-methylpiperidin-4-yl)pyrazine-2-carboxamide;dihydrochloride
CID 120557503
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]pyridine-2-carboxamide
CID 11919862
N-[(1R,2R)-2-ethylsulfanylcyclopentyl]-5-methylpyrazine-2-carboxamide
CID 96526700
6-bromo-N-(2,3-dimethylcyclohexyl)pyridine-3-carboxamide
CID 66463063
4-amino-N-(2,3-dimethylcyclohexyl)-3-methylbenzamide
CID 16785407
5-methyl-N-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide
CID 91912940
4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide
CID 126843777
N-(2,3-dimethylcyclohexyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55762098
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylfuran-2-carboxamide
CID 51969450

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylpyrazine-2-carboxamide (CID 51969442) is N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cn1.
What is the InChIKey of N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is DFVYSXFNAAXTPS-ZMLRMANQSA-N. The full InChI is InChI=1S/C14H21N3O/c1-9-5-4-6-12(11(9)3)17-14(18)13-8-15-10(2)7-16-13/h7-9,11-12H,4-6H2,1-3H3,(H,17,18)/t9-,11-,12+/m0/s1.
What are the key properties of N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylpyrazine-2-carboxamide?
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 51969442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).