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

C14H14BrN3O2 — CID 62152678

IUPAC2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(Br)cnc1N
InChIInChI=1S/C14H14BrN3O2/c1-20-12-5-3-2-4-9(12)7-18-14(19)11-6-10(15)8-17-13(11)16/h2-6,8H,7H2,1H3,(H2,16,17)(H,18,19)
InChIKeyYKEGXKWMNLWSJT-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.36
Rot. Bonds4

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

2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 62152678) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID62152678
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(Br)cnc1N
InChIInChI=1S/C14H14BrN3O2/c1-20-12-5-3-2-4-9(12)7-18-14(19)11-6-10(15)8-17-13(11)16/h2-6,8H,7H2,1H3,(H2,16,17)(H,18,19)
InChIKeyYKEGXKWMNLWSJT-UHFFFAOYSA-N
XLogP2.36
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide
CID 64694166
2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 62160081
5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 62953516
2-amino-5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 82743986
2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912738
1-(5-bromopyrimidin-2-yl)-3-[(2-methoxyphenyl)methyl]urea
CID 108897456
3-bromo-5-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 110410177
[2-[(2-methoxyphenyl)methylcarbamoyl]phenyl] acetate
CID 3362065
5-acetamido-N-[(2-methoxyphenyl)methyl]-2-methylpyridine-3-carboxamide
CID 155964980
4-methoxy-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzamide
CID 110761590
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 31069159
6-bromo-N-[(2-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 46291475

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide (CID 62152678) is 2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide is COc1ccccc1CNC(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is YKEGXKWMNLWSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-20-12-5-3-2-4-9(12)7-18-14(19)11-6-10(15)8-17-13(11)16/h2-6,8H,7H2,1H3,(H2,16,17)(H,18,19).
What are the key properties of 2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 336.19 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 62152678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).