N-[(5-bromo-2-methoxyphenyl)methyl]-5-chloro-N-methylpyrazine-2-carboxamide

C14H13BrClN3O2 — CID 107236575

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-5-chloro-N-methylpyrazine-2-carboxamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)c1cnc(Cl)cn1
InChIInChI=1S/C14H13BrClN3O2/c1-19(14(20)11-6-18-13(16)7-17-11)8-9-5-10(15)3-4-12(9)21-2/h3-7H,8H2,1-2H3
InChIKeyYKFPYYLEBLWKNH-UHFFFAOYSA-N
MW370.63 g/mol
LogP3.17
Rot. Bonds4

About N-[(5-bromo-2-methoxyphenyl)methyl]-5-chloro-N-methylpyrazine-2-carboxamide

N-[(5-bromo-2-methoxyphenyl)methyl]-5-chloro-N-methylpyrazine-2-carboxamide (PubChem CID 107236575) has the molecular formula C14H13BrClN3O2 and a molecular weight of 370.63 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-5-chloro-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-5-chloro-N-methylpyrazine-2-carboxamide
PubChem CID107236575
Molecular FormulaC14H13BrClN3O2
Molecular Weight370.63 g/mol
Exact Mass368.99
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-5-chloro-N-methylpyrazine-2-carboxamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)c1cnc(Cl)cn1
InChIInChI=1S/C14H13BrClN3O2/c1-19(14(20)11-6-18-13(16)7-17-11)8-9-5-10(15)3-4-12(9)21-2/h3-7H,8H2,1-2H3
InChIKeyYKFPYYLEBLWKNH-UHFFFAOYSA-N
XLogP3.17
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.63
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide
CID 103803183
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 104741521
methyl 6-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylate
CID 32762970
5-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazine-2-carboxamide
CID 107253049
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
CID 60938044
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide
CID 60628271
N-[(5-bromo-2-methoxyphenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide
CID 31152479
N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide
CID 4786419
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 60628279
5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120690573
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbenzamide
CID 60938045
(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 93367470

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-5-chloro-N-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-5-chloro-N-methylpyrazine-2-carboxamide (CID 107236575) is N-[(5-bromo-2-methoxyphenyl)methyl]-5-chloro-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-5-chloro-N-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-5-chloro-N-methylpyrazine-2-carboxamide is COc1ccc(Br)cc1CN(C)C(=O)c1cnc(Cl)cn1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-5-chloro-N-methylpyrazine-2-carboxamide?
The InChIKey is YKFPYYLEBLWKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN3O2/c1-19(14(20)11-6-18-13(16)7-17-11)8-9-5-10(15)3-4-12(9)21-2/h3-7H,8H2,1-2H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-5-chloro-N-methylpyrazine-2-carboxamide?
N-[(5-bromo-2-methoxyphenyl)methyl]-5-chloro-N-methylpyrazine-2-carboxamide has a molecular weight of 370.63 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-5-chloro-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 107236575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).