N-(2-amino-5-thiophen-2-ylphenyl)-5-bromo-6-oxo-1H-pyridine-3-carboxamide

C16H12BrN3O2S — CID 59737416

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-5-bromo-6-oxo-1H-pyridine-3-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1c[nH]c(=O)c(Br)c1
InChIInChI=1S/C16H12BrN3O2S/c17-11-6-10(8-19-16(11)22)15(21)20-13-7-9(3-4-12(13)18)14-2-1-5-23-14/h1-8H,18H2,(H,19,22)(H,20,21)
InChIKeyPMQOGFDOGHNNFE-UHFFFAOYSA-N
MW390.26 g/mol
LogP3.70
Rot. Bonds3

About N-(2-amino-5-thiophen-2-ylphenyl)-5-bromo-6-oxo-1H-pyridine-3-carboxamide

N-(2-amino-5-thiophen-2-ylphenyl)-5-bromo-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 59737416) has the molecular formula C16H12BrN3O2S and a molecular weight of 390.26 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-5-bromo-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-5-bromo-6-oxo-1H-pyridine-3-carboxamide
PubChem CID59737416
Molecular FormulaC16H12BrN3O2S
Molecular Weight390.26 g/mol
Exact Mass388.98
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-5-bromo-6-oxo-1H-pyridine-3-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1c[nH]c(=O)c(Br)c1
InChIInChI=1S/C16H12BrN3O2S/c17-11-6-10(8-19-16(11)22)15(21)20-13-7-9(3-4-12(13)18)14-2-1-5-23-14/h1-8H,18H2,(H,19,22)(H,20,21)
InChIKeyPMQOGFDOGHNNFE-UHFFFAOYSA-N
XLogP3.70
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.26
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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N-(2-amino-5-thiophen-2-ylphenyl)-3,4-dimethoxybenzamide
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CID 88928326
CID 88928326
N-(2-amino-5-thiophen-2-ylphenyl)-4-(phenylsulfonimidoyl)benzamide
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N-(2-amino-5-thiophen-2-ylphenyl)-4-(benzamidomethyl)benzamide
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[3-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-2,4-dimethylpentan-3-yl]-oxophosphanium
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N-(2-amino-5-thiophen-2-ylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide
CID 134535362
N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,9-diazaspiro[5.5]undecan-2-yl)pyridine-3-carboxamide
CID 139451621
N-(2-amino-5-thiophen-2-ylphenyl)-4-[(methylsulfonimidoyl)methyl]benzamide
CID 168792590
4-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide
CID 24947476
N-(2-amino-5-thiophen-2-ylphenyl)-1-benzofuran-2-carboxamide
CID 59736777

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-5-bromo-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-5-bromo-6-oxo-1H-pyridine-3-carboxamide (CID 59737416) is N-(2-amino-5-thiophen-2-ylphenyl)-5-bromo-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-5-bromo-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-5-bromo-6-oxo-1H-pyridine-3-carboxamide is Nc1ccc(-c2cccs2)cc1NC(=O)c1c[nH]c(=O)c(Br)c1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-5-bromo-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is PMQOGFDOGHNNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O2S/c17-11-6-10(8-19-16(11)22)15(21)20-13-7-9(3-4-12(13)18)14-2-1-5-23-14/h1-8H,18H2,(H,19,22)(H,20,21).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-5-bromo-6-oxo-1H-pyridine-3-carboxamide?
N-(2-amino-5-thiophen-2-ylphenyl)-5-bromo-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 390.26 g/mol, XLogP of 3.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-5-bromo-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 59737416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).