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

C14H14BrN3O — CID 103752344

IUPAC2-bromo-N-[2-(dimethylamino)phenyl]pyridine-4-carboxamide
SMILESCN(C)c1ccccc1NC(=O)c1ccnc(Br)c1
InChIInChI=1S/C14H14BrN3O/c1-18(2)12-6-4-3-5-11(12)17-14(19)10-7-8-16-13(15)9-10/h3-9H,1-2H3,(H,17,19)
InChIKeyPRCLNMGZNOBIIG-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.16
Rot. Bonds3

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

2-bromo-N-[2-(dimethylamino)phenyl]pyridine-4-carboxamide (PubChem CID 103752344) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 2-bromo-N-[2-(dimethylamino)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[2-(dimethylamino)phenyl]pyridine-4-carboxamide
PubChem CID103752344
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name2-bromo-N-[2-(dimethylamino)phenyl]pyridine-4-carboxamide
SMILESCN(C)c1ccccc1NC(=O)c1ccnc(Br)c1
InChIInChI=1S/C14H14BrN3O/c1-18(2)12-6-4-3-5-11(12)17-14(19)10-7-8-16-13(15)9-10/h3-9H,1-2H3,(H,17,19)
InChIKeyPRCLNMGZNOBIIG-UHFFFAOYSA-N
XLogP3.16
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.16
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

2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]pyridine-4-carboxamide
CID 103752467
4-bromo-N-[2-(dimethylamino)phenyl]benzamide
CID 30875552
2-[2-[(2-bromopyridine-4-carbonyl)amino]phenyl]acetic acid
CID 103803916
2-bromo-N-(2-ethylsulfonylphenyl)pyridine-4-carboxamide
CID 103758980
2-bromo-N-(2-nitrophenyl)pyridine-4-carboxamide
CID 114037408
3-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 106760605
4-chloro-N-[2-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 47166032
3-bromo-5-chloro-N-[2-(dimethylamino)phenyl]benzamide
CID 107951985
4-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 106760608
2-bromo-N-quinolin-5-ylpyridine-4-carboxamide
CID 103751909
2-bromo-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide
CID 103754168
2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 103752146

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(dimethylamino)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-[2-(dimethylamino)phenyl]pyridine-4-carboxamide (CID 103752344) is 2-bromo-N-[2-(dimethylamino)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-[2-(dimethylamino)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-[2-(dimethylamino)phenyl]pyridine-4-carboxamide is CN(C)c1ccccc1NC(=O)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-[2-(dimethylamino)phenyl]pyridine-4-carboxamide?
The InChIKey is PRCLNMGZNOBIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-18(2)12-6-4-3-5-11(12)17-14(19)10-7-8-16-13(15)9-10/h3-9H,1-2H3,(H,17,19).
What are the key properties of 2-bromo-N-[2-(dimethylamino)phenyl]pyridine-4-carboxamide?
2-bromo-N-[2-(dimethylamino)phenyl]pyridine-4-carboxamide has a molecular weight of 320.19 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(dimethylamino)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 103752344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).