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

C16H18BrN3O — CID 107518027

IUPAC3-bromo-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ncccc2Br)cc1
InChIInChI=1S/C16H18BrN3O/c1-3-20(4-2)13-9-7-12(8-10-13)19-16(21)15-14(17)6-5-11-18-15/h5-11H,3-4H2,1-2H3,(H,19,21)
InChIKeyQEECSHOCSLFKGE-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.94
Rot. Bonds5

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

3-bromo-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide (PubChem CID 107518027) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 3-bromo-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
PubChem CID107518027
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name3-bromo-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ncccc2Br)cc1
InChIInChI=1S/C16H18BrN3O/c1-3-20(4-2)13-9-7-12(8-10-13)19-16(21)15-14(17)6-5-11-18-15/h5-11H,3-4H2,1-2H3,(H,19,21)
InChIKeyQEECSHOCSLFKGE-UHFFFAOYSA-N
XLogP3.94
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(4-butylphenyl)pyridine-2-carboxamide
CID 107517899
N-(3-amino-4-ethylphenyl)-3-bromopyridine-2-carboxamide
CID 107516882
3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 107517768
3-bromo-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
CID 107517764
3-bromo-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 107518403
3-bromo-N-[4-(dimethylamino)-2-methylphenyl]pyridine-2-carboxamide
CID 107518241
4-[(3-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid
CID 107517066
4-bromo-N-[4-(diethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56560029
3-bromo-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide
CID 107518009
2-N,6-N-bis[4-(diethylamino)phenyl]pyridine-2,6-dicarboxamide
CID 1019302
N-[4-(diethylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 2558813
3-bromo-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide
CID 107519069

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide (CID 107518027) is 3-bromo-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide is CCN(CC)c1ccc(NC(=O)c2ncccc2Br)cc1.
What is the InChIKey of 3-bromo-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide?
The InChIKey is QEECSHOCSLFKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-3-20(4-2)13-9-7-12(8-10-13)19-16(21)15-14(17)6-5-11-18-15/h5-11H,3-4H2,1-2H3,(H,19,21).
What are the key properties of 3-bromo-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide?
3-bromo-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide has a molecular weight of 348.24 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 107518027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).