5-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrazine-2-carboxamide

C13H18ClN3O2 — CID 107257902

IUPAC5-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrazine-2-carboxamide
SMILESCC1CCCC(O)(CNC(=O)c2cnc(Cl)cn2)C1
InChIInChI=1S/C13H18ClN3O2/c1-9-3-2-4-13(19,5-9)8-17-12(18)10-6-16-11(14)7-15-10/h6-7,9,19H,2-5,8H2,1H3,(H,17,18)
InChIKeyBUBACHPFNDWVHI-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.80
Rot. Bonds3

About 5-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrazine-2-carboxamide

5-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrazine-2-carboxamide (PubChem CID 107257902) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 5-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrazine-2-carboxamide
PubChem CID107257902
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name5-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrazine-2-carboxamide
SMILESCC1CCCC(O)(CNC(=O)c2cnc(Cl)cn2)C1
InChIInChI=1S/C13H18ClN3O2/c1-9-3-2-4-13(19,5-9)8-17-12(18)10-6-16-11(14)7-15-10/h6-7,9,19H,2-5,8H2,1H3,(H,17,18)
InChIKeyBUBACHPFNDWVHI-UHFFFAOYSA-N
XLogP1.80
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 106551418
5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 107372076
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 65124084
5-bromo-2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-3-carboxamide
CID 65118505
(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230
6-bromo-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 103916914
6-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 113323631
4-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzene-1,4-dicarboxamide
CID 65123811
5-chloro-N-[(1-ethylcyclopropyl)methyl]pyrazine-2-carboxamide
CID 107257972
5-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazine-2-carboxamide
CID 107329698
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-propan-2-ylbenzamide
CID 65124108
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylpyridine-3-carboxamide
CID 79039376

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrazine-2-carboxamide (CID 107257902) is 5-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrazine-2-carboxamide is CC1CCCC(O)(CNC(=O)c2cnc(Cl)cn2)C1.
What is the InChIKey of 5-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrazine-2-carboxamide?
The InChIKey is BUBACHPFNDWVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-9-3-2-4-13(19,5-9)8-17-12(18)10-6-16-11(14)7-15-10/h6-7,9,19H,2-5,8H2,1H3,(H,17,18).
What are the key properties of 5-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrazine-2-carboxamide?
5-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrazine-2-carboxamide has a molecular weight of 283.76 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 107257902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).