6-chloro-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide

C11H14ClN3O2 — CID 103336797

IUPAC6-chloro-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1cncc(Cl)n1
InChIInChI=1S/C11H14ClN3O2/c12-10-6-13-5-9(15-10)11(17)14-7-1-3-8(16)4-2-7/h5-8,16H,1-4H2,(H,14,17)
InChIKeyTXYJHCSQGWTBJW-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.16
Rot. Bonds2

About 6-chloro-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide

6-chloro-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide (PubChem CID 103336797) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 6-chloro-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide
PubChem CID103336797
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name6-chloro-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1cncc(Cl)n1
InChIInChI=1S/C11H14ClN3O2/c12-10-6-13-5-9(15-10)11(17)14-7-1-3-8(16)4-2-7/h5-8,16H,1-4H2,(H,14,17)
InChIKeyTXYJHCSQGWTBJW-UHFFFAOYSA-N
XLogP1.16
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(thian-4-yl)pyrazine-2-carboxamide
CID 106551266
cis-(1R,3S)-3-[(6-chloropyrazine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106321292
N-(azetidin-3-yl)-6-chloropyrazine-2-carboxamide;hydrochloride
CID 118279228
6-chloro-N-(2-methyloxan-4-yl)pyrazine-2-carboxamide
CID 106551626
3-[(6-chloropyrazine-2-carbonyl)amino]azetidine-1-carboxylic acid
CID 118279389
6-chloro-N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide
CID 106551204
6-chloro-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 106551335
bis(6-chloropyrazin-2-yl)methanone
CID 152688598
6-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrazine-2-carboxamide
CID 106551559
6-(methylamino)-N-(4-methylcyclohexyl)pyrazine-2-carboxamide
CID 114035620
6-chloro-N-(1-cyclohexylethyl)pyrazine-2-carboxamide
CID 106551401
6-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide
CID 62233843

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide (CID 103336797) is 6-chloro-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide is O=C(NC1CCC(O)CC1)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide?
The InChIKey is TXYJHCSQGWTBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c12-10-6-13-5-9(15-10)11(17)14-7-1-3-8(16)4-2-7/h5-8,16H,1-4H2,(H,14,17).
What are the key properties of 6-chloro-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide?
6-chloro-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide has a molecular weight of 255.70 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide is sourced from PubChem (CID 103336797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).