N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-5-methylpyrazine-2-carboxamide

C18H20ClN3O2 — CID 51091950

IUPACN-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)cn1
InChIInChI=1S/C18H20ClN3O2/c1-13-10-21-16(11-20-13)17(23)22-12-18(5-7-24-8-6-18)14-3-2-4-15(19)9-14/h2-4,9-11H,5-8,12H2,1H3,(H,22,23)
InChIKeyVMTQNOFFDFEAPG-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.92
Rot. Bonds4

About N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-5-methylpyrazine-2-carboxamide

N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-5-methylpyrazine-2-carboxamide (PubChem CID 51091950) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-5-methylpyrazine-2-carboxamide
PubChem CID51091950
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC NameN-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)cn1
InChIInChI=1S/C18H20ClN3O2/c1-13-10-21-16(11-20-13)17(23)22-12-18(5-7-24-8-6-18)14-3-2-4-15(19)9-14/h2-4,9-11H,5-8,12H2,1H3,(H,22,23)
InChIKeyVMTQNOFFDFEAPG-UHFFFAOYSA-N
XLogP2.92
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[(1-phenylcyclobutyl)methyl]pyrazine-2-carboxamide
CID 52556515
(2R)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylbutanamide
CID 94643933
(2R)-2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303940
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxy-4-methoxybenzamide
CID 56581235
(2S,4S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpiperidine-4-carboxamide
CID 120625684
(2S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-ethoxybutanamide
CID 94669671
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]morpholine-3-carboxamide
CID 119749884
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide
CID 119749930
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 60570658
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-6-methylpyridin-2-amine
CID 133482369
2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxyacetamide
CID 139008870
2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-methylpentanamide
CID 119749920

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-5-methylpyrazine-2-carboxamide (CID 51091950) is N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)cn1.
What is the InChIKey of N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is VMTQNOFFDFEAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-13-10-21-16(11-20-13)17(23)22-12-18(5-7-24-8-6-18)14-3-2-4-15(19)9-14/h2-4,9-11H,5-8,12H2,1H3,(H,22,23).
What are the key properties of N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-5-methylpyrazine-2-carboxamide?
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 51091950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).