5-bromo-N-[(2,5-dimethoxyphenyl)methyl]pyridine-2-carboxamide

C15H15BrN2O3 — CID 62954388

IUPAC5-bromo-N-[(2,5-dimethoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2ccc(Br)cn2)c1
InChIInChI=1S/C15H15BrN2O3/c1-20-12-4-6-14(21-2)10(7-12)8-18-15(19)13-5-3-11(16)9-17-13/h3-7,9H,8H2,1-2H3,(H,18,19)
InChIKeyGXSYANXFROZGJK-UHFFFAOYSA-N
MW351.20 g/mol
LogP2.79
Rot. Bonds5

About 5-bromo-N-[(2,5-dimethoxyphenyl)methyl]pyridine-2-carboxamide

5-bromo-N-[(2,5-dimethoxyphenyl)methyl]pyridine-2-carboxamide (PubChem CID 62954388) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is 5-bromo-N-[(2,5-dimethoxyphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2,5-dimethoxyphenyl)methyl]pyridine-2-carboxamide
PubChem CID62954388
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Name5-bromo-N-[(2,5-dimethoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2ccc(Br)cn2)c1
InChIInChI=1S/C15H15BrN2O3/c1-20-12-4-6-14(21-2)10(7-12)8-18-15(19)13-5-3-11(16)9-17-13/h3-7,9H,8H2,1-2H3,(H,18,19)
InChIKeyGXSYANXFROZGJK-UHFFFAOYSA-N
XLogP2.79
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 62953516
5-bromo-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 62954224
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
4-bromo-N-[2-[(2,5-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 33108134
5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190229
5-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridine-2-carboxamide
CID 62954591
5-bromo-N-(3-bromo-4-methoxyphenyl)pyridine-2-carboxamide
CID 63999815
5-[2-(2,5-dimethoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685272
N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959370
N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 138994491
5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 62954201
N-[(5-bromo-2-methoxyphenyl)methyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 15999971

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2,5-dimethoxyphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2,5-dimethoxyphenyl)methyl]pyridine-2-carboxamide (CID 62954388) is 5-bromo-N-[(2,5-dimethoxyphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2,5-dimethoxyphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2,5-dimethoxyphenyl)methyl]pyridine-2-carboxamide is COc1ccc(OC)c(CNC(=O)c2ccc(Br)cn2)c1.
What is the InChIKey of 5-bromo-N-[(2,5-dimethoxyphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is GXSYANXFROZGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-20-12-4-6-14(21-2)10(7-12)8-18-15(19)13-5-3-11(16)9-17-13/h3-7,9H,8H2,1-2H3,(H,18,19).
What are the key properties of 5-bromo-N-[(2,5-dimethoxyphenyl)methyl]pyridine-2-carboxamide?
5-bromo-N-[(2,5-dimethoxyphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 351.20 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2,5-dimethoxyphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 62954388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).