6-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide

C14H13BrN2O2 — CID 66462090

IUPAC6-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(Br)nc2)cc1
InChIInChI=1S/C14H13BrN2O2/c1-19-12-5-2-10(3-6-12)8-17-14(18)11-4-7-13(15)16-9-11/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyAFKNMBVEXKBOOD-UHFFFAOYSA-N
MW321.17 g/mol
LogP2.78
Rot. Bonds4

About 6-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide

6-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 66462090) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 6-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID66462090
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name6-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(Br)nc2)cc1
InChIInChI=1S/C14H13BrN2O2/c1-19-12-5-2-10(3-6-12)8-17-14(18)11-4-7-13(15)16-9-11/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyAFKNMBVEXKBOOD-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-[(4-hydroxyphenyl)methyl]pyridine-3-carboxamide
CID 115670742
N-[(4-bromophenyl)methyl]-4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116681
2-[(4-methoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256082
3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 789214
6-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 27548743
6-[2-(4-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158114
6-[(4-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157222
6-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 66463466
3-bromo-5-ethoxy-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 7959624
5-chloro-N-[(4-methoxyphenyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62172418
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide (CID 66462090) is 6-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide is COc1ccc(CNC(=O)c2ccc(Br)nc2)cc1.
What is the InChIKey of 6-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is AFKNMBVEXKBOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-19-12-5-2-10(3-6-12)8-17-14(18)11-4-7-13(15)16-9-11/h2-7,9H,8H2,1H3,(H,17,18).
What are the key properties of 6-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
6-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-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 6-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 66462090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).