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

C13H12BrN3O2 — CID 82859642

IUPAC2-amino-N-(3-bromo-5-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1cc(Br)cc(NC(=O)c2ccnc(N)c2)c1
InChIInChI=1S/C13H12BrN3O2/c1-19-11-6-9(14)5-10(7-11)17-13(18)8-2-3-16-12(15)4-8/h2-7H,1H3,(H2,15,16)(H,17,18)
InChIKeyRDUMTOISHRUFAP-UHFFFAOYSA-N
MW322.16 g/mol
LogP2.69
Rot. Bonds3

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

2-amino-N-(3-bromo-5-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 82859642) has the molecular formula C13H12BrN3O2 and a molecular weight of 322.16 g/mol. Its IUPAC name is 2-amino-N-(3-bromo-5-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-bromo-5-methoxyphenyl)pyridine-4-carboxamide
PubChem CID82859642
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16 g/mol
Exact Mass321.01
IUPAC Name2-amino-N-(3-bromo-5-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1cc(Br)cc(NC(=O)c2ccnc(N)c2)c1
InChIInChI=1S/C13H12BrN3O2/c1-19-11-6-9(14)5-10(7-11)17-13(18)8-2-3-16-12(15)4-8/h2-7H,1H3,(H2,15,16)(H,17,18)
InChIKeyRDUMTOISHRUFAP-UHFFFAOYSA-N
XLogP2.69
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-bromo-N-(3-bromo-5-methoxyphenyl)benzamide
CID 82867322
3-amino-N-(3-bromo-5-methoxyphenyl)-4-chlorobenzamide
CID 82857386
N-(3-bromo-5-methoxyphenyl)benzamide
CID 82860164
N-(3-bromo-5-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 82859447
5-amino-N-(3-bromo-5-methoxyphenyl)pyridine-2-carboxamide
CID 82858178
2-amino-N-(5-bromo-2-methoxyphenyl)pyridine-4-carboxamide
CID 62187195
N-(3-bromo-5-methoxyphenyl)-4-(ethylamino)benzamide
CID 82859109
N-(3-bromo-5-methoxyphenyl)-3-hydroxy-4-methoxybenzamide
CID 82858870
2-amino-N-(3-bromo-5-methoxyphenyl)-5-methoxybenzamide
CID 82859159
2-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177974
N-(3-bromo-5-methoxyphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388544
N-(3-bromophenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109178014

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-bromo-5-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(3-bromo-5-methoxyphenyl)pyridine-4-carboxamide (CID 82859642) is 2-amino-N-(3-bromo-5-methoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(3-bromo-5-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(3-bromo-5-methoxyphenyl)pyridine-4-carboxamide is COc1cc(Br)cc(NC(=O)c2ccnc(N)c2)c1.
What is the InChIKey of 2-amino-N-(3-bromo-5-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is RDUMTOISHRUFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2/c1-19-11-6-9(14)5-10(7-11)17-13(18)8-2-3-16-12(15)4-8/h2-7H,1H3,(H2,15,16)(H,17,18).
What are the key properties of 2-amino-N-(3-bromo-5-methoxyphenyl)pyridine-4-carboxamide?
2-amino-N-(3-bromo-5-methoxyphenyl)pyridine-4-carboxamide has a molecular weight of 322.16 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-bromo-5-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 82859642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).