3-bromo-N-tert-butyl-N-methylpyridine-2-carboxamide

C11H15BrN2O — CID 18337604

IUPAC3-bromo-N-tert-butyl-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ncccc1Br)C(C)(C)C
InChIInChI=1S/C11H15BrN2O/c1-11(2,3)14(4)10(15)9-8(12)6-5-7-13-9/h5-7H,1-4H3
InChIKeyCGJYFEHXRZEIFX-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.71
Rot. Bonds1

About 3-bromo-N-tert-butyl-N-methylpyridine-2-carboxamide

3-bromo-N-tert-butyl-N-methylpyridine-2-carboxamide (PubChem CID 18337604) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 3-bromo-N-tert-butyl-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-tert-butyl-N-methylpyridine-2-carboxamide
PubChem CID18337604
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name3-bromo-N-tert-butyl-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ncccc1Br)C(C)(C)C
InChIInChI=1S/C11H15BrN2O/c1-11(2,3)14(4)10(15)9-8(12)6-5-7-13-9/h5-7H,1-4H3
InChIKeyCGJYFEHXRZEIFX-UHFFFAOYSA-N
XLogP2.71
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N-tert-butyl-N-methylpyridine-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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-tert-butyl-N-methylpyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-tert-butyl-N-methylpyridine-2-carboxamide (CID 18337604) is 3-bromo-N-tert-butyl-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-tert-butyl-N-methylpyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-tert-butyl-N-methylpyridine-2-carboxamide is CN(C(=O)c1ncccc1Br)C(C)(C)C.
What is the InChIKey of 3-bromo-N-tert-butyl-N-methylpyridine-2-carboxamide?
The InChIKey is CGJYFEHXRZEIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-11(2,3)14(4)10(15)9-8(12)6-5-7-13-9/h5-7H,1-4H3.
What are the key properties of 3-bromo-N-tert-butyl-N-methylpyridine-2-carboxamide?
3-bromo-N-tert-butyl-N-methylpyridine-2-carboxamide has a molecular weight of 271.16 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-tert-butyl-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 18337604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).