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

C14H13BrN2O2 — CID 62953516

IUPAC5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(Br)cn1
InChIInChI=1S/C14H13BrN2O2/c1-19-13-5-3-2-4-10(13)8-17-14(18)12-7-6-11(15)9-16-12/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyRGRRYHHOIRJHKY-UHFFFAOYSA-N
MW321.17 g/mol
LogP2.78
Rot. Bonds4

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

5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide (PubChem CID 62953516) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
PubChem CID62953516
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(Br)cn1
InChIInChI=1S/C14H13BrN2O2/c1-19-13-5-3-2-4-10(13)8-17-14(18)12-7-6-11(15)9-16-12/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyRGRRYHHOIRJHKY-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-bromo-N-[(2,5-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 62954388
N-[(2-methoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide
CID 110683577
5-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109184031
N-[(2-methoxyphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109190160
N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109189345
5-[(2-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109189465
N-[(2-methoxyphenyl)methyl]-5-(3-methylanilino)pyridine-2-carboxamide
CID 109190188
5-(4-acetylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190232
2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 62152678
5-[2-(4-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190170
1-(5-bromopyrimidin-2-yl)-3-[(2-methoxyphenyl)methyl]urea
CID 108897456
5-[(2-methoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109190258

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide (CID 62953516) is 5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide is COc1ccccc1CNC(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is RGRRYHHOIRJHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-19-13-5-3-2-4-10(13)8-17-14(18)12-7-6-11(15)9-16-12/h2-7,9H,8H2,1H3,(H,17,18).
What are the key properties of 5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
5-bromo-N-[(2-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-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 62953516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).