2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]pyridine-4-carboxamide

C14H13BrClN3O — CID 103752467

IUPAC2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]pyridine-4-carboxamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)c1ccnc(Br)c1
InChIInChI=1S/C14H13BrClN3O/c1-19(2)13-10(16)4-3-5-11(13)18-14(20)9-6-7-17-12(15)8-9/h3-8H,1-2H3,(H,18,20)
InChIKeyZIWBLGHMKKPDPC-UHFFFAOYSA-N
MW354.64 g/mol
LogP3.82
Rot. Bonds3

About 2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]pyridine-4-carboxamide

2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]pyridine-4-carboxamide (PubChem CID 103752467) has the molecular formula C14H13BrClN3O and a molecular weight of 354.64 g/mol. Its IUPAC name is 2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]pyridine-4-carboxamide
PubChem CID103752467
Molecular FormulaC14H13BrClN3O
Molecular Weight354.64 g/mol
Exact Mass352.99
IUPAC Name2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]pyridine-4-carboxamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)c1ccnc(Br)c1
InChIInChI=1S/C14H13BrClN3O/c1-19(2)13-10(16)4-3-5-11(13)18-14(20)9-6-7-17-12(15)8-9/h3-8H,1-2H3,(H,18,20)
InChIKeyZIWBLGHMKKPDPC-UHFFFAOYSA-N
XLogP3.82
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.64
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3,5-dibromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide
CID 107980200
2-bromo-N-[2-(dimethylamino)phenyl]pyridine-4-carboxamide
CID 103752344
2-bromo-N-(2,6-dichlorophenyl)pyridine-4-carboxamide
CID 114037407
3-amino-4-bromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide
CID 107812870
N-[3-chloro-2-(dimethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide
CID 51117262
2-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 103758998
2-bromo-N-quinolin-5-ylpyridine-4-carboxamide
CID 103751909
N-[3-chloro-2-(dimethylamino)phenyl]-3-(cyclopropylsulfamoyl)benzamide
CID 55763086
2-[2-[(2-bromopyridine-4-carbonyl)amino]phenyl]acetic acid
CID 103803916
2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 103752146
2-bromo-N-(3-methylphenyl)pyridine-4-carboxamide
CID 86695841
N-(3-acetamidophenyl)-2-bromopyridine-4-carboxamide
CID 71854176

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]pyridine-4-carboxamide (CID 103752467) is 2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]pyridine-4-carboxamide is CN(C)c1c(Cl)cccc1NC(=O)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]pyridine-4-carboxamide?
The InChIKey is ZIWBLGHMKKPDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN3O/c1-19(2)13-10(16)4-3-5-11(13)18-14(20)9-6-7-17-12(15)8-9/h3-8H,1-2H3,(H,18,20).
What are the key properties of 2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]pyridine-4-carboxamide?
2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]pyridine-4-carboxamide has a molecular weight of 354.64 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 103752467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).