6-bromo-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide

C14H14BrN3O — CID 66463680

IUPAC6-bromo-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1ccc(Br)nc1
InChIInChI=1S/C14H14BrN3O/c1-18(9-7-12-4-2-3-8-16-12)14(19)11-5-6-13(15)17-10-11/h2-6,8,10H,7,9H2,1H3
InChIKeyFLQVXWWBZFVLIR-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.55
Rot. Bonds4

About 6-bromo-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide

6-bromo-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide (PubChem CID 66463680) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 6-bromo-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
PubChem CID66463680
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name6-bromo-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1ccc(Br)nc1
InChIInChI=1S/C14H14BrN3O/c1-18(9-7-12-4-2-3-8-16-12)14(19)11-5-6-13(15)17-10-11/h2-6,8,10H,7,9H2,1H3
InChIKeyFLQVXWWBZFVLIR-UHFFFAOYSA-N
XLogP2.55
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103707127
3-bromo-4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103841475
4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 56809954
5,6-dichloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 60699347
N-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)benzamide
CID 78796251
4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;oxalic acid
CID 90483378
N-methyl-N-(2-pyridin-2-ylethyl)-3-sulfanylbenzamide
CID 107021824
3-iodo-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 60653685
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 116816951
4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide
CID 43411200
N-methyl-5-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 122137867

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide (CID 66463680) is 6-bromo-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide is CN(CCc1ccccn1)C(=O)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide?
The InChIKey is FLQVXWWBZFVLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-18(9-7-12-4-2-3-8-16-12)14(19)11-5-6-13(15)17-10-11/h2-6,8,10H,7,9H2,1H3.
What are the key properties of 6-bromo-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide?
6-bromo-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide has a molecular weight of 320.19 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 66463680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).