N-(2-bromo-5-methoxyphenyl)-4-(methylamino)pyridine-3-carboxamide

C14H14BrN3O2 — CID 81245977

IUPACN-(2-bromo-5-methoxyphenyl)-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)Nc1cc(OC)ccc1Br
InChIInChI=1S/C14H14BrN3O2/c1-16-12-5-6-17-8-10(12)14(19)18-13-7-9(20-2)3-4-11(13)15/h3-8H,1-2H3,(H,16,17)(H,18,19)
InChIKeyDXAUOOHESWZOEQ-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.15
Rot. Bonds4

About N-(2-bromo-5-methoxyphenyl)-4-(methylamino)pyridine-3-carboxamide

N-(2-bromo-5-methoxyphenyl)-4-(methylamino)pyridine-3-carboxamide (PubChem CID 81245977) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is N-(2-bromo-5-methoxyphenyl)-4-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-methoxyphenyl)-4-(methylamino)pyridine-3-carboxamide
PubChem CID81245977
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC NameN-(2-bromo-5-methoxyphenyl)-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)Nc1cc(OC)ccc1Br
InChIInChI=1S/C14H14BrN3O2/c1-16-12-5-6-17-8-10(12)14(19)18-13-7-9(20-2)3-4-11(13)15/h3-8H,1-2H3,(H,16,17)(H,18,19)
InChIKeyDXAUOOHESWZOEQ-UHFFFAOYSA-N
XLogP3.15
TPSA63.25 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 ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-fluorophenyl)-4-(methylamino)pyridine-3-carboxamide
CID 81245752
N-(2-bromo-5-methoxyphenyl)-4-methoxybenzamide
CID 62416430
N-(2-chloro-5-methoxyphenyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81237548
N-(2-bromo-5-methoxyphenyl)-2-iodobenzamide
CID 62416238
N-(2-bromo-5-methoxyphenyl)-2-methoxy-5-methylbenzamide
CID 62415657
3-bromo-N-(2-bromo-5-methoxyphenyl)-2-chlorobenzamide
CID 103989322
N-(5-chloro-2-methoxyphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 81234108
2-amino-N-(3-bromo-4-pyridinyl)-3,5-dimethoxybenzamide
CID 115950780
4-hydrazinyl-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 81255713
5-bromo-N-(2-bromo-5-methoxyphenyl)furan-2-carboxamide
CID 51130825
N-(3-fluoro-4-pyridinyl)-4-(methylamino)pyridine-3-carboxamide
CID 107595502
N-(5-bromo-4-methyl-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide
CID 81245636

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methoxyphenyl)-4-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-bromo-5-methoxyphenyl)-4-(methylamino)pyridine-3-carboxamide (CID 81245977) is N-(2-bromo-5-methoxyphenyl)-4-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-5-methoxyphenyl)-4-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-bromo-5-methoxyphenyl)-4-(methylamino)pyridine-3-carboxamide is CNc1ccncc1C(=O)Nc1cc(OC)ccc1Br.
What is the InChIKey of N-(2-bromo-5-methoxyphenyl)-4-(methylamino)pyridine-3-carboxamide?
The InChIKey is DXAUOOHESWZOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-16-12-5-6-17-8-10(12)14(19)18-13-7-9(20-2)3-4-11(13)15/h3-8H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of N-(2-bromo-5-methoxyphenyl)-4-(methylamino)pyridine-3-carboxamide?
N-(2-bromo-5-methoxyphenyl)-4-(methylamino)pyridine-3-carboxamide has a molecular weight of 336.19 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methoxyphenyl)-4-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81245977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).