N-(3-bromobutan-2-yl)-6-methylpyridine-2-carboxamide

C11H15BrN2O — CID 131183457

IUPACN-(3-bromobutan-2-yl)-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC(C)C(C)Br)n1
InChIInChI=1S/C11H15BrN2O/c1-7-5-4-6-10(13-7)11(15)14-9(3)8(2)12/h4-6,8-9H,1-3H3,(H,14,15)
InChIKeyKMSUBYIOJLDMBR-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.29
Rot. Bonds3

About N-(3-bromobutan-2-yl)-6-methylpyridine-2-carboxamide

N-(3-bromobutan-2-yl)-6-methylpyridine-2-carboxamide (PubChem CID 131183457) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is N-(3-bromobutan-2-yl)-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromobutan-2-yl)-6-methylpyridine-2-carboxamide
PubChem CID131183457
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC NameN-(3-bromobutan-2-yl)-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC(C)C(C)Br)n1
InChIInChI=1S/C11H15BrN2O/c1-7-5-4-6-10(13-7)11(15)14-9(3)8(2)12/h4-6,8-9H,1-3H3,(H,14,15)
InChIKeyKMSUBYIOJLDMBR-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
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-(1-bromo-4-methylpentan-3-yl)-6-methylpyridine-2-carboxamide
CID 106355356
N-[(1R)-1-cyclopropylethyl]-6-methylpyridine-2-carboxamide
CID 33045236
N-(2-chloropropyl)-6-methylpyridine-2-carboxamide
CID 114296366
(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-2-phenylacetic acid
CID 30071507
N-[1-(4-methoxyphenyl)ethyl]-6-methylpyridine-2-carboxamide
CID 110462509
6-methyl-N-propan-2-ylsulfonylpyridine-2-carboxamide
CID 122628419
2-[(6-methylpyridine-2-carbonyl)amino]-3-sulfanylpropanoic acid
CID 16794367
N-(1-chlorobutan-2-yl)-6-methylpyridine-2-carboxamide
CID 114294381
N-(1-chloro-4,4-dimethylpentan-3-yl)-6-methylpyridine-2-carboxamide
CID 114177913
N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide
CID 63184440
2-[(6-methylpyridine-2-carbonyl)amino]pentanoic acid
CID 43631097
(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 30075662

Frequently Asked Questions

What is the IUPAC name of N-(3-bromobutan-2-yl)-6-methylpyridine-2-carboxamide?
The IUPAC name of N-(3-bromobutan-2-yl)-6-methylpyridine-2-carboxamide (CID 131183457) is N-(3-bromobutan-2-yl)-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(3-bromobutan-2-yl)-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-(3-bromobutan-2-yl)-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)NC(C)C(C)Br)n1.
What is the InChIKey of N-(3-bromobutan-2-yl)-6-methylpyridine-2-carboxamide?
The InChIKey is KMSUBYIOJLDMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-7-5-4-6-10(13-7)11(15)14-9(3)8(2)12/h4-6,8-9H,1-3H3,(H,14,15).
What are the key properties of N-(3-bromobutan-2-yl)-6-methylpyridine-2-carboxamide?
N-(3-bromobutan-2-yl)-6-methylpyridine-2-carboxamide has a molecular weight of 271.16 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromobutan-2-yl)-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 131183457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).