N-[(2R)-2-cyclohexyl-2-hydroxyethyl]pyrazine-2-carboxamide

C13H19N3O2 — CID 95292177

IUPACN-[(2R)-2-cyclohexyl-2-hydroxyethyl]pyrazine-2-carboxamide
SMILESO=C(NC[C@H](O)C1CCCCC1)c1cnccn1
InChIInChI=1S/C13H19N3O2/c17-12(10-4-2-1-3-5-10)9-16-13(18)11-8-14-6-7-15-11/h6-8,10,12,17H,1-5,9H2,(H,16,18)/t12-/m0/s1
InChIKeyBNGDYMOKDZAYHA-LBPRGKRZSA-N
MW249.31 g/mol
LogP1.15
Rot. Bonds4

About N-[(2R)-2-cyclohexyl-2-hydroxyethyl]pyrazine-2-carboxamide

N-[(2R)-2-cyclohexyl-2-hydroxyethyl]pyrazine-2-carboxamide (PubChem CID 95292177) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[(2R)-2-cyclohexyl-2-hydroxyethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-cyclohexyl-2-hydroxyethyl]pyrazine-2-carboxamide
PubChem CID95292177
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[(2R)-2-cyclohexyl-2-hydroxyethyl]pyrazine-2-carboxamide
SMILESO=C(NC[C@H](O)C1CCCCC1)c1cnccn1
InChIInChI=1S/C13H19N3O2/c17-12(10-4-2-1-3-5-10)9-16-13(18)11-8-14-6-7-15-11/h6-8,10,12,17H,1-5,9H2,(H,16,18)/t12-/m0/s1
InChIKeyBNGDYMOKDZAYHA-LBPRGKRZSA-N
XLogP1.15
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 90498743
2-cyclopropyl-2-(pyrazine-2-carbonylamino)acetic acid
CID 62695126
N-(4-hydroxy-2-methylbutyl)pyrazine-2-carboxamide
CID 66106195
N-[(2R)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazine-2-carboxamide
CID 98720786
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]thiophene-3-carboxamide
CID 95292148
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
N-(2-cyclopropyl-2-hydroxyethyl)-1,2,5-thiadiazole-3-carboxamide
CID 63298702
N-(2,2-diethoxyethyl)pyrazine-2-carboxamide
CID 103602082
4-bromo-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]benzamide
CID 95292167
N-(2-hydroxy-3-phenylpropyl)pyrazine-2-carboxamide
CID 90534299
N-(azetidin-3-ylmethyl)pyrazine-2-carboxamide
CID 127017038
2-cyclohexyl-2-methoxy-1-pyrazin-2-ylethanone
CID 116750925

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyclohexyl-2-hydroxyethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(2R)-2-cyclohexyl-2-hydroxyethyl]pyrazine-2-carboxamide (CID 95292177) is N-[(2R)-2-cyclohexyl-2-hydroxyethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-cyclohexyl-2-hydroxyethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(2R)-2-cyclohexyl-2-hydroxyethyl]pyrazine-2-carboxamide is O=C(NC[C@H](O)C1CCCCC1)c1cnccn1.
What is the InChIKey of N-[(2R)-2-cyclohexyl-2-hydroxyethyl]pyrazine-2-carboxamide?
The InChIKey is BNGDYMOKDZAYHA-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-12(10-4-2-1-3-5-10)9-16-13(18)11-8-14-6-7-15-11/h6-8,10,12,17H,1-5,9H2,(H,16,18)/t12-/m0/s1.
What are the key properties of N-[(2R)-2-cyclohexyl-2-hydroxyethyl]pyrazine-2-carboxamide?
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]pyrazine-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyclohexyl-2-hydroxyethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 95292177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).