N-[(3-bromophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide

C14H13BrN2O2 — CID 63849991

IUPACN-[(3-bromophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide
SMILESCN(Cc1cccc(Br)c1)C(=O)c1cncc(O)c1
InChIInChI=1S/C14H13BrN2O2/c1-17(9-10-3-2-4-12(15)5-10)14(19)11-6-13(18)8-16-7-11/h2-8,18H,9H2,1H3
InChIKeyVFOUXTBSWBINEQ-UHFFFAOYSA-N
MW321.17 g/mol
LogP2.82
Rot. Bonds3

About N-[(3-bromophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide

N-[(3-bromophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide (PubChem CID 63849991) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide
PubChem CID63849991
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC NameN-[(3-bromophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide
SMILESCN(Cc1cccc(Br)c1)C(=O)c1cncc(O)c1
InChIInChI=1S/C14H13BrN2O2/c1-17(9-10-3-2-4-12(15)5-10)14(19)11-6-13(18)8-16-7-11/h2-8,18H,9H2,1H3
InChIKeyVFOUXTBSWBINEQ-UHFFFAOYSA-N
XLogP2.82
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromophenyl)methyl]-N-methylpyrimidine-5-carboxamide
CID 104626014
N-[(3-cyanophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide
CID 63859996
5-hydroxy-N-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 63865818
5-hydroxy-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 79004030
N-[(3-bromophenyl)methyl]-3-hydroxy-N,4-dimethylbenzamide
CID 61416207
N-[(3-bromophenyl)methyl]-4-hydroxy-N,3-dimethylbenzamide
CID 103956433
3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide
CID 54916014
3-bromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide
CID 47180891
6-bromo-N-[(3-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 66464110
5-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60729547
N-[(3-bromophenyl)methyl]-3-chloro-4-iodo-N-methylbenzamide
CID 103220856
N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 62173439

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide (CID 63849991) is N-[(3-bromophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide is CN(Cc1cccc(Br)c1)C(=O)c1cncc(O)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide?
The InChIKey is VFOUXTBSWBINEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-17(9-10-3-2-4-12(15)5-10)14(19)11-6-13(18)8-16-7-11/h2-8,18H,9H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide?
N-[(3-bromophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide has a molecular weight of 321.17 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 63849991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).