5-bromo-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide

C14H13BrN2O2 — CID 62954224

IUPAC5-bromo-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc(Br)cn2)c1
InChIInChI=1S/C14H13BrN2O2/c1-19-12-4-2-3-10(7-12)8-17-14(18)13-6-5-11(15)9-16-13/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyFUSMPDCIFHAMHK-UHFFFAOYSA-N
MW321.17 g/mol
LogP2.78
Rot. Bonds4

About 5-bromo-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide

5-bromo-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide (PubChem CID 62954224) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 5-bromo-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
PubChem CID62954224
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name5-bromo-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc(Br)cn2)c1
InChIInChI=1S/C14H13BrN2O2/c1-19-12-4-2-3-10(7-12)8-17-14(18)13-6-5-11(15)9-16-13/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyFUSMPDCIFHAMHK-UHFFFAOYSA-N
XLogP2.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 63724046
5-cyano-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 63717646
5-bromo-2-hydrazinyl-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 62237338
5-bromo-N-[(2,5-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 62954388
2,4-dibromo-N-[(3-methoxyphenyl)methyl]benzamide
CID 103882071
6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61028665
5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 62953516
2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 17400822
N-[(3-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51153757
5-bromo-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
CID 2539105
2-bromo-6-chloro-N-[(3-methoxyphenyl)methyl]benzamide
CID 86296545
1-(4-bromo-2-chlorophenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 52594310

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide (CID 62954224) is 5-bromo-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide is COc1cccc(CNC(=O)c2ccc(Br)cn2)c1.
What is the InChIKey of 5-bromo-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is FUSMPDCIFHAMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-19-12-4-2-3-10(7-12)8-17-14(18)13-6-5-11(15)9-16-13/h2-7,9H,8H2,1H3,(H,17,18).
What are the key properties of 5-bromo-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide?
5-bromo-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 321.17 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 62954224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).