3-bromo-N,N-bis(2-methylpropyl)pyridine-2-carboxamide

C14H21BrN2O — CID 107518180

IUPAC3-bromo-N,N-bis(2-methylpropyl)pyridine-2-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)c1ncccc1Br
InChIInChI=1S/C14H21BrN2O/c1-10(2)8-17(9-11(3)4)14(18)13-12(15)6-5-7-16-13/h5-7,10-11H,8-9H2,1-4H3
InChIKeyDIJJNYABWLNMAL-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.60
Rot. Bonds5

About 3-bromo-N,N-bis(2-methylpropyl)pyridine-2-carboxamide

3-bromo-N,N-bis(2-methylpropyl)pyridine-2-carboxamide (PubChem CID 107518180) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 3-bromo-N,N-bis(2-methylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N,N-bis(2-methylpropyl)pyridine-2-carboxamide
PubChem CID107518180
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name3-bromo-N,N-bis(2-methylpropyl)pyridine-2-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)c1ncccc1Br
InChIInChI=1S/C14H21BrN2O/c1-10(2)8-17(9-11(3)4)14(18)13-12(15)6-5-7-16-13/h5-7,10-11H,8-9H2,1-4H3
InChIKeyDIJJNYABWLNMAL-UHFFFAOYSA-N
XLogP3.60
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N,N-bis(2-methylpropyl)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

3-bromo-N-(2-bromoethyl)-N-ethylpyridine-2-carboxamide
CID 107526189
3-bromo-N,N-bis(prop-2-enyl)pyridine-2-carboxamide
CID 107517815
3-bromo-N,N-bis(cyanomethyl)pyridine-2-carboxamide
CID 107517745
3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 107518835
3-bromo-N-propan-2-yl-N-propylpyridine-2-carboxamide
CID 107517877
3-bromo-N-methyl-N-pentan-3-ylpyridine-2-carboxamide
CID 107517936
3-bromo-N-(5-methylhexyl)pyridine-2-carboxamide
CID 107519204
methyl 3-[(3-bromopyridine-2-carbonyl)-methylamino]-2-methylpropanoate
CID 107518636
3-[(3-bromopyridine-2-carbonyl)-propan-2-ylamino]propanoic acid
CID 107517011
methyl 2-[(3-bromopyridine-2-carbonyl)-ethylamino]acetate
CID 107518830
3-bromo-N-[(2S)-2-hydroxypropyl]pyridine-2-carboxamide
CID 107519736
3-bromo-N-(3-methyl-2-oxobutyl)pyridine-2-carboxamide
CID 107517566

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,N-bis(2-methylpropyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N,N-bis(2-methylpropyl)pyridine-2-carboxamide (CID 107518180) is 3-bromo-N,N-bis(2-methylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N,N-bis(2-methylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N,N-bis(2-methylpropyl)pyridine-2-carboxamide is CC(C)CN(CC(C)C)C(=O)c1ncccc1Br.
What is the InChIKey of 3-bromo-N,N-bis(2-methylpropyl)pyridine-2-carboxamide?
The InChIKey is DIJJNYABWLNMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-10(2)8-17(9-11(3)4)14(18)13-12(15)6-5-7-16-13/h5-7,10-11H,8-9H2,1-4H3.
What are the key properties of 3-bromo-N,N-bis(2-methylpropyl)pyridine-2-carboxamide?
3-bromo-N,N-bis(2-methylpropyl)pyridine-2-carboxamide has a molecular weight of 313.24 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,N-bis(2-methylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 107518180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).