2-bromo-N-(2,2-dimethylheptyl)pyridine-3-carboxamide

C15H23BrN2O — CID 103755991

IUPAC2-bromo-N-(2,2-dimethylheptyl)pyridine-3-carboxamide
SMILESCCCCCC(C)(C)CNC(=O)c1cccnc1Br
InChIInChI=1S/C15H23BrN2O/c1-4-5-6-9-15(2,3)11-18-14(19)12-8-7-10-17-13(12)16/h7-8,10H,4-6,9,11H2,1-3H3,(H,18,19)
InChIKeyMIMXMRMOGYPQRN-UHFFFAOYSA-N
MW327.27 g/mol
LogP4.18
Rot. Bonds7

About 2-bromo-N-(2,2-dimethylheptyl)pyridine-3-carboxamide

2-bromo-N-(2,2-dimethylheptyl)pyridine-3-carboxamide (PubChem CID 103755991) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-bromo-N-(2,2-dimethylheptyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2,2-dimethylheptyl)pyridine-3-carboxamide
PubChem CID103755991
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-bromo-N-(2,2-dimethylheptyl)pyridine-3-carboxamide
SMILESCCCCCC(C)(C)CNC(=O)c1cccnc1Br
InChIInChI=1S/C15H23BrN2O/c1-4-5-6-9-15(2,3)11-18-14(19)12-8-7-10-17-13(12)16/h7-8,10H,4-6,9,11H2,1-3H3,(H,18,19)
InChIKeyMIMXMRMOGYPQRN-UHFFFAOYSA-N
XLogP4.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(2-ethoxy-2-methylpropyl)pyridine-3-carboxamide
CID 105343028
2-bromo-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide
CID 103752335
2-[[(2-bromopyridine-3-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 114037105
N-(2,2-dimethylheptyl)-3-fluoropyridine-4-carboxamide
CID 115686817
methyl 2-[(2-bromopyridine-3-carbonyl)amino]acetate
CID 103752231
N-(2,2-dimethylheptyl)-3-(methylamino)pyridine-4-carboxamide
CID 105070761
4-bromo-N-(2,2-dimethylheptyl)-2-methoxybenzamide
CID 115369323
2-bromo-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 103819583
2-bromo-N-pentan-3-ylpyridine-3-carboxamide
CID 103751829
2-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide
CID 103752820
2-bromo-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 103886003
N-(5-chloro-2,2-dimethylpentyl)-3-hydroxy-2-methylbenzamide
CID 106144803

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,2-dimethylheptyl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-(2,2-dimethylheptyl)pyridine-3-carboxamide (CID 103755991) is 2-bromo-N-(2,2-dimethylheptyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(2,2-dimethylheptyl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-(2,2-dimethylheptyl)pyridine-3-carboxamide is CCCCCC(C)(C)CNC(=O)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-(2,2-dimethylheptyl)pyridine-3-carboxamide?
The InChIKey is MIMXMRMOGYPQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-4-5-6-9-15(2,3)11-18-14(19)12-8-7-10-17-13(12)16/h7-8,10H,4-6,9,11H2,1-3H3,(H,18,19).
What are the key properties of 2-bromo-N-(2,2-dimethylheptyl)pyridine-3-carboxamide?
2-bromo-N-(2,2-dimethylheptyl)pyridine-3-carboxamide has a molecular weight of 327.27 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,2-dimethylheptyl)pyridine-3-carboxamide is sourced from PubChem (CID 103755991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).