6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-3-carboxamide

C15H15BrN2O — CID 66463938

IUPAC6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(Br)nc1)c1ccc(C)cc1
InChIInChI=1S/C15H15BrN2O/c1-3-18(13-7-4-11(2)5-8-13)15(19)12-6-9-14(16)17-10-12/h4-10H,3H2,1-2H3
InChIKeyCNKZAGMWYTXXMO-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.82
Rot. Bonds3

About 6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-3-carboxamide

6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-3-carboxamide (PubChem CID 66463938) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-3-carboxamide
PubChem CID66463938
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(Br)nc1)c1ccc(C)cc1
InChIInChI=1S/C15H15BrN2O/c1-3-18(13-7-4-11(2)5-8-13)15(19)12-6-9-14(16)17-10-12/h4-10H,3H2,1-2H3
InChIKeyCNKZAGMWYTXXMO-UHFFFAOYSA-N
XLogP3.82
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-ethyl-N-(2-methylphenyl)pyridine-3-carboxamide
CID 66464248
6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-2-carboxamide
CID 103889658
2-(N-(6-bromopyridine-3-carbonyl)anilino)acetic acid
CID 66463836
6-bromo-N-ethyl-N-propylpyridine-3-carboxamide
CID 66463470
6-bromo-N-ethyl-N-propan-2-ylpyridine-3-carboxamide
CID 66463467
3-bromo-5-chloro-N-ethyl-N-(4-methylphenyl)benzamide
CID 107952307
6-bromo-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 66463493
2-amino-5-bromo-N-ethyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 62161411
N-ethyl-2-methyl-N-phenylpyrimidine-5-carboxamide
CID 110857873
N-ethyl-3-hydroxy-4-iodo-N-(4-methylphenyl)benzamide
CID 104627675
N-ethyl-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 110865026
N-ethyl-3-methyl-4-(methylamino)-N-(4-methylphenyl)benzamide
CID 63213973

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-3-carboxamide (CID 66463938) is 6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-3-carboxamide is CCN(C(=O)c1ccc(Br)nc1)c1ccc(C)cc1.
What is the InChIKey of 6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is CNKZAGMWYTXXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-3-18(13-7-4-11(2)5-8-13)15(19)12-6-9-14(16)17-10-12/h4-10H,3H2,1-2H3.
What are the key properties of 6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-3-carboxamide?
6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-3-carboxamide has a molecular weight of 319.20 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 66463938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).