3-bromo-N-methyl-N-(4-prop-2-ynoxyphenyl)pyridine-2-carboxamide

C16H13BrN2O2 — CID 100624954

IUPAC3-bromo-N-methyl-N-(4-prop-2-ynoxyphenyl)pyridine-2-carboxamide
SMILESC#CCOc1ccc(N(C)C(=O)c2ncccc2Br)cc1
InChIInChI=1S/C16H13BrN2O2/c1-3-11-21-13-8-6-12(7-9-13)19(2)16(20)15-14(17)5-4-10-18-15/h1,4-10H,11H2,2H3
InChIKeyHPLQUMBSSFSZOX-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.13
Rot. Bonds4

About 3-bromo-N-methyl-N-(4-prop-2-ynoxyphenyl)pyridine-2-carboxamide

3-bromo-N-methyl-N-(4-prop-2-ynoxyphenyl)pyridine-2-carboxamide (PubChem CID 100624954) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-(4-prop-2-ynoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-methyl-N-(4-prop-2-ynoxyphenyl)pyridine-2-carboxamide
PubChem CID100624954
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name3-bromo-N-methyl-N-(4-prop-2-ynoxyphenyl)pyridine-2-carboxamide
SMILESC#CCOc1ccc(N(C)C(=O)c2ncccc2Br)cc1
InChIInChI=1S/C16H13BrN2O2/c1-3-11-21-13-8-6-12(7-9-13)19(2)16(20)15-14(17)5-4-10-18-15/h1,4-10H,11H2,2H3
InChIKeyHPLQUMBSSFSZOX-UHFFFAOYSA-N
XLogP3.13
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-bromo-N-methyl-N-(4-prop-2-ynoxyphenyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-phenyl-N-(4-prop-2-ynoxyphenyl)-1,2,4-triazole-3-carboxamide
CID 84593484
N-methyl-N-(4-prop-2-ynoxyphenyl)-3-pyrrol-1-ylbenzamide
CID 86900039
3-hydroxy-N-methyl-N-phenylpyridine-2-carboxamide
CID 60923476
4-ethoxy-N,3-dimethyl-N-(4-prop-2-ynoxyphenyl)benzamide
CID 86938319
1-(2-chlorophenyl)-N,5-dimethyl-N-(4-prop-2-ynoxyphenyl)pyrazole-4-carboxamide
CID 86939389
N,3,5-trimethyl-1-propyl-N-(4-prop-2-ynoxyphenyl)pyrazole-4-carboxamide
CID 84587409
2-amino-N-methyl-6-nitro-N-(4-prop-2-ynoxyphenyl)benzamide
CID 91660232
3-[(4-cyanophenoxy)methyl]-N-methyl-N-(4-prop-2-ynoxyphenyl)benzamide
CID 86954216
3-bromo-N-methyl-N-pentan-3-ylpyridine-2-carboxamide
CID 107517936
methyl 3-[(3-bromopyridine-2-carbonyl)-methylamino]-2-methylpropanoate
CID 107518636
1-(2,6-dichlorophenyl)-5-ethyl-N-methyl-N-(4-prop-2-ynoxyphenyl)-1,2,4-triazole-3-carboxamide
CID 86900019
N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(4-prop-2-ynoxyphenyl)acetamide
CID 75420147

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-N-(4-prop-2-ynoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-methyl-N-(4-prop-2-ynoxyphenyl)pyridine-2-carboxamide (CID 100624954) is 3-bromo-N-methyl-N-(4-prop-2-ynoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-methyl-N-(4-prop-2-ynoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-methyl-N-(4-prop-2-ynoxyphenyl)pyridine-2-carboxamide is C#CCOc1ccc(N(C)C(=O)c2ncccc2Br)cc1.
What is the InChIKey of 3-bromo-N-methyl-N-(4-prop-2-ynoxyphenyl)pyridine-2-carboxamide?
The InChIKey is HPLQUMBSSFSZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-3-11-21-13-8-6-12(7-9-13)19(2)16(20)15-14(17)5-4-10-18-15/h1,4-10H,11H2,2H3.
What are the key properties of 3-bromo-N-methyl-N-(4-prop-2-ynoxyphenyl)pyridine-2-carboxamide?
3-bromo-N-methyl-N-(4-prop-2-ynoxyphenyl)pyridine-2-carboxamide has a molecular weight of 345.20 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-N-(4-prop-2-ynoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 100624954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).