methyl 6-[(3-chlorophenyl)methyl-methylamino]pyrazine-2-carboxylate

C14H14ClN3O2 — CID 66458224

IUPACmethyl 6-[(3-chlorophenyl)methyl-methylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N(C)Cc2cccc(Cl)c2)n1
InChIInChI=1S/C14H14ClN3O2/c1-18(9-10-4-3-5-11(15)6-10)13-8-16-7-12(17-13)14(19)20-2/h3-8H,9H2,1-2H3
InChIKeyIKVCRTGUPGZUQT-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.55
Rot. Bonds4

About methyl 6-[(3-chlorophenyl)methyl-methylamino]pyrazine-2-carboxylate

methyl 6-[(3-chlorophenyl)methyl-methylamino]pyrazine-2-carboxylate (PubChem CID 66458224) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is methyl 6-[(3-chlorophenyl)methyl-methylamino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(3-chlorophenyl)methyl-methylamino]pyrazine-2-carboxylate
PubChem CID66458224
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Namemethyl 6-[(3-chlorophenyl)methyl-methylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N(C)Cc2cccc(Cl)c2)n1
InChIInChI=1S/C14H14ClN3O2/c1-18(9-10-4-3-5-11(15)6-10)13-8-16-7-12(17-13)14(19)20-2/h3-8H,9H2,1-2H3
InChIKeyIKVCRTGUPGZUQT-UHFFFAOYSA-N
XLogP2.55
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[(3-methoxyphenyl)methyl-methylamino]pyrazine-2-carboxylate
CID 66455869
6-(chloromethyl)-N-[(3-chlorophenyl)methyl]-N-methylpyrazin-2-amine
CID 66465731
methyl 6-[(5-bromothiophen-3-yl)methyl-methylamino]pyrazine-2-carboxylate
CID 66452032
6-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyrazin-2-amine
CID 54979220
6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyrazine-2-carboxamide
CID 133431049
6-N-[(3-chlorophenyl)methyl]-6-N-methylpyridine-2,6-diamine
CID 80646738
methyl 6-[[1-(hydroxymethyl)cyclopropyl]methyl-methylamino]pyrazine-2-carboxylate
CID 126816380
methyl 2-[(3-chlorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952814
6-(chloromethyl)-N-[(3-chlorophenyl)methyl]-N-methylpyridin-2-amine
CID 62255532
5-bromo-N-[(3-chlorophenyl)methyl]-N-methylpyridin-3-amine
CID 115656903
6-[(3-chlorophenyl)methyl-methylamino]pyridine-3-carbaldehyde
CID 80638202
2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-methylamino]ethanol
CID 133381567

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3-chlorophenyl)methyl-methylamino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[(3-chlorophenyl)methyl-methylamino]pyrazine-2-carboxylate (CID 66458224) is methyl 6-[(3-chlorophenyl)methyl-methylamino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[(3-chlorophenyl)methyl-methylamino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[(3-chlorophenyl)methyl-methylamino]pyrazine-2-carboxylate is COC(=O)c1cncc(N(C)Cc2cccc(Cl)c2)n1.
What is the InChIKey of methyl 6-[(3-chlorophenyl)methyl-methylamino]pyrazine-2-carboxylate?
The InChIKey is IKVCRTGUPGZUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-18(9-10-4-3-5-11(15)6-10)13-8-16-7-12(17-13)14(19)20-2/h3-8H,9H2,1-2H3.
What are the key properties of methyl 6-[(3-chlorophenyl)methyl-methylamino]pyrazine-2-carboxylate?
methyl 6-[(3-chlorophenyl)methyl-methylamino]pyrazine-2-carboxylate has a molecular weight of 291.74 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3-chlorophenyl)methyl-methylamino]pyrazine-2-carboxylate is sourced from PubChem (CID 66458224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).