N-(2-bromopropyl)-2,6-dimethylpyridine-3-carboxamide

C11H15BrN2O — CID 114308850

IUPACN-(2-bromopropyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC(C)Br)c(C)n1
InChIInChI=1S/C11H15BrN2O/c1-7(12)6-13-11(15)10-5-4-8(2)14-9(10)3/h4-5,7H,6H2,1-3H3,(H,13,15)
InChIKeySSIXPTHGQDWEJB-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.21
Rot. Bonds3

About N-(2-bromopropyl)-2,6-dimethylpyridine-3-carboxamide

N-(2-bromopropyl)-2,6-dimethylpyridine-3-carboxamide (PubChem CID 114308850) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is N-(2-bromopropyl)-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromopropyl)-2,6-dimethylpyridine-3-carboxamide
PubChem CID114308850
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC NameN-(2-bromopropyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC(C)Br)c(C)n1
InChIInChI=1S/C11H15BrN2O/c1-7(12)6-13-11(15)10-5-4-8(2)14-9(10)3/h4-5,7H,6H2,1-3H3,(H,13,15)
InChIKeySSIXPTHGQDWEJB-UHFFFAOYSA-N
XLogP2.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide
CID 114302798
2,6-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102914586
N-(2-aminopropyl)-2,6-dimethylpyridine-3-carboxamide
CID 63731041
N-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide
CID 65034246
2-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]butanoic acid
CID 65217615
2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-carboxamide
CID 103726330
3-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]pentanoic acid
CID 81067028
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,6-dimethylpyridine-3-carboxamide
CID 47057757
N-(4-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridine-3-carboxamide
CID 111480117
N-[(2R)-1-aminopropan-2-yl]-2,6-dimethylpyridine-3-carboxamide
CID 104873122
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2,6-dimethylpyridine-3-carboxamide
CID 56785820
N-(4-hydroxypentan-2-yl)-2,6-dimethylpyridine-3-carboxamide
CID 113376501

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(2-bromopropyl)-2,6-dimethylpyridine-3-carboxamide (CID 114308850) is N-(2-bromopropyl)-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromopropyl)-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(2-bromopropyl)-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)NCC(C)Br)c(C)n1.
What is the InChIKey of N-(2-bromopropyl)-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is SSIXPTHGQDWEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-7(12)6-13-11(15)10-5-4-8(2)14-9(10)3/h4-5,7H,6H2,1-3H3,(H,13,15).
What are the key properties of N-(2-bromopropyl)-2,6-dimethylpyridine-3-carboxamide?
N-(2-bromopropyl)-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 271.16 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 114308850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).