N-[(3-amino-4-methoxyphenyl)methyl]-5-bromopyridine-3-carboxamide

C14H14BrN3O2 — CID 60972248

IUPACN-[(3-amino-4-methoxyphenyl)methyl]-5-bromopyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cncc(Br)c2)cc1N
InChIInChI=1S/C14H14BrN3O2/c1-20-13-3-2-9(4-12(13)16)6-18-14(19)10-5-11(15)8-17-7-10/h2-5,7-8H,6,16H2,1H3,(H,18,19)
InChIKeySUGKITBFKXTTHC-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.36
Rot. Bonds4

About N-[(3-amino-4-methoxyphenyl)methyl]-5-bromopyridine-3-carboxamide

N-[(3-amino-4-methoxyphenyl)methyl]-5-bromopyridine-3-carboxamide (PubChem CID 60972248) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is N-[(3-amino-4-methoxyphenyl)methyl]-5-bromopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-amino-4-methoxyphenyl)methyl]-5-bromopyridine-3-carboxamide
PubChem CID60972248
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC NameN-[(3-amino-4-methoxyphenyl)methyl]-5-bromopyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cncc(Br)c2)cc1N
InChIInChI=1S/C14H14BrN3O2/c1-20-13-3-2-9(4-12(13)16)6-18-14(19)10-5-11(15)8-17-7-10/h2-5,7-8H,6,16H2,1H3,(H,18,19)
InChIKeySUGKITBFKXTTHC-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(3-amino-4-methoxyphenyl)methyl]-4-chlorobenzamide
CID 60973085
N-[(3,4-dimethoxyphenyl)methyl]-5-hydroxypyridine-3-carboxamide
CID 63866016
5-bromo-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide
CID 25316377
N-[(3-amino-4-methoxyphenyl)methyl]-3-hydroxybenzamide
CID 60971357
3-N-butyl-5-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109101964
N-[(3-amino-4-methoxyphenyl)methyl]-3-hydroxy-4-methylbenzamide
CID 60971358
N-[(3-amino-4-methoxyphenyl)methyl]-4,5-dibromothiophene-2-carboxamide
CID 80536756
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)pyridine-3-carboxamide
CID 109237906
N-[(3-amino-4-methoxyphenyl)methyl]-2-bromo-4-chlorobenzamide
CID 107986307
N-[(3-amino-4-methoxyphenyl)methyl]-3-chloro-4-fluorobenzamide
CID 82873015
5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 110851643
4-amino-N-[(4-bromophenyl)methyl]-3-methoxybenzamide
CID 104782310

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]-5-bromopyridine-3-carboxamide?
The IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]-5-bromopyridine-3-carboxamide (CID 60972248) is N-[(3-amino-4-methoxyphenyl)methyl]-5-bromopyridine-3-carboxamide.
What is the SMILES notation for N-[(3-amino-4-methoxyphenyl)methyl]-5-bromopyridine-3-carboxamide?
The canonical SMILES for N-[(3-amino-4-methoxyphenyl)methyl]-5-bromopyridine-3-carboxamide is COc1ccc(CNC(=O)c2cncc(Br)c2)cc1N.
What is the InChIKey of N-[(3-amino-4-methoxyphenyl)methyl]-5-bromopyridine-3-carboxamide?
The InChIKey is SUGKITBFKXTTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-20-13-3-2-9(4-12(13)16)6-18-14(19)10-5-11(15)8-17-7-10/h2-5,7-8H,6,16H2,1H3,(H,18,19).
What are the key properties of N-[(3-amino-4-methoxyphenyl)methyl]-5-bromopyridine-3-carboxamide?
N-[(3-amino-4-methoxyphenyl)methyl]-5-bromopyridine-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 N-[(3-amino-4-methoxyphenyl)methyl]-5-bromopyridine-3-carboxamide is sourced from PubChem (CID 60972248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).