5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyrazine-2-carboxamide

C14H20ClN3O2 — CID 107372076

IUPAC5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyrazine-2-carboxamide
SMILESCC1(C)CCC(O)(CNC(=O)c2cnc(Cl)cn2)CC1
InChIInChI=1S/C14H20ClN3O2/c1-13(2)3-5-14(20,6-4-13)9-18-12(19)10-7-17-11(15)8-16-10/h7-8,20H,3-6,9H2,1-2H3,(H,18,19)
InChIKeyUKFHTPMEVGRLMC-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.19
Rot. Bonds3

About 5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyrazine-2-carboxamide

5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyrazine-2-carboxamide (PubChem CID 107372076) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyrazine-2-carboxamide
PubChem CID107372076
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyrazine-2-carboxamide
SMILESCC1(C)CCC(O)(CNC(=O)c2cnc(Cl)cn2)CC1
InChIInChI=1S/C14H20ClN3O2/c1-13(2)3-5-14(20,6-4-13)9-18-12(19)10-7-17-11(15)8-16-10/h7-8,20H,3-6,9H2,1-2H3,(H,18,19)
InChIKeyUKFHTPMEVGRLMC-UHFFFAOYSA-N
XLogP2.19
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 107257902
5-chloro-N-[(1-ethylcyclopropyl)methyl]pyrazine-2-carboxamide
CID 107257972
5-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazine-2-carboxamide
CID 107329698
N-(2-amino-2-oxoethyl)-5-chloropyrazine-2-carboxamide
CID 107243491
2-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-3-carboxamide
CID 106686929
N-[2-(carbamoylamino)ethyl]-5-chloropyrazine-2-carboxamide
CID 107372160
5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-2-carboxamide
CID 65119319
methyl 2-[(5-chloropyrazine-2-carbonyl)amino]acetate
CID 103817109
N-butyl-5-chloropyrazine-2-carboxamide
CID 103803228
5-chloro-N-[2-oxo-2-(propylamino)ethyl]pyrazine-2-carboxamide
CID 103803259
5-chloro-N-(cyclohexylmethyl)pyrazine-2-carboxamide
CID 107236593
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 65119604

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyrazine-2-carboxamide (CID 107372076) is 5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyrazine-2-carboxamide is CC1(C)CCC(O)(CNC(=O)c2cnc(Cl)cn2)CC1.
What is the InChIKey of 5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyrazine-2-carboxamide?
The InChIKey is UKFHTPMEVGRLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-13(2)3-5-14(20,6-4-13)9-18-12(19)10-7-17-11(15)8-16-10/h7-8,20H,3-6,9H2,1-2H3,(H,18,19).
What are the key properties of 5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyrazine-2-carboxamide?
5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyrazine-2-carboxamide has a molecular weight of 297.79 g/mol, XLogP of 2.19, 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-4,4-dimethylcyclohexyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 107372076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).