N-[3-(3-bromopropyl)phenyl]-2-methylpyridine-4-carboxamide

C16H17BrN2O — CID 106754268

IUPACN-[3-(3-bromopropyl)phenyl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(CCCBr)c2)ccn1
InChIInChI=1S/C16H17BrN2O/c1-12-10-14(7-9-18-12)16(20)19-15-6-2-4-13(11-15)5-3-8-17/h2,4,6-7,9-11H,3,5,8H2,1H3,(H,19,20)
InChIKeyBDTUHSQKQXHXEQ-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.97
Rot. Bonds5

About N-[3-(3-bromopropyl)phenyl]-2-methylpyridine-4-carboxamide

N-[3-(3-bromopropyl)phenyl]-2-methylpyridine-4-carboxamide (PubChem CID 106754268) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is N-[3-(3-bromopropyl)phenyl]-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-bromopropyl)phenyl]-2-methylpyridine-4-carboxamide
PubChem CID106754268
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC NameN-[3-(3-bromopropyl)phenyl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(CCCBr)c2)ccn1
InChIInChI=1S/C16H17BrN2O/c1-12-10-14(7-9-18-12)16(20)19-15-6-2-4-13(11-15)5-3-8-17/h2,4,6-7,9-11H,3,5,8H2,1H3,(H,19,20)
InChIKeyBDTUHSQKQXHXEQ-UHFFFAOYSA-N
XLogP3.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.97
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-(3-bromopropyl)phenyl]furan-3-carboxamide
CID 113397917
2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-4-carboxamide
CID 106753513
N-(3-carbamothioylphenyl)-2-methylpyridine-4-carboxamide
CID 106752978
N-[3-(3-bromopropyl)phenyl]-4-chloro-3-fluorobenzamide
CID 107994161
N-[3-(3-bromopropyl)phenyl]-5-methylthiophene-2-carboxamide
CID 113397928
N-[3-(3-bromopropyl)phenyl]-1,3-thiazole-4-carboxamide
CID 113397924
N-[3-(3-bromopropyl)phenyl]-2,3-dihydroxybenzamide
CID 114345344
2-bromo-N-(3-methylphenyl)pyridine-4-carboxamide
CID 86695841
N-[3-(3-bromopropyl)phenyl]-3-chloro-4-methylthiophene-2-carboxamide
CID 103406160
N-[3-(bromomethyl)-4-ethoxyphenyl]-2-methylpyridine-4-carboxamide
CID 106754238
N-[3-(3-aminopropyl)phenyl]-4-hydroxy-3-methylbenzamide
CID 107673369
N-(2-bromo-3-methylphenyl)-2-methylpyridine-4-carboxamide
CID 106753102

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-bromopropyl)phenyl]-2-methylpyridine-4-carboxamide?
The IUPAC name of N-[3-(3-bromopropyl)phenyl]-2-methylpyridine-4-carboxamide (CID 106754268) is N-[3-(3-bromopropyl)phenyl]-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[3-(3-bromopropyl)phenyl]-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-[3-(3-bromopropyl)phenyl]-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)Nc2cccc(CCCBr)c2)ccn1.
What is the InChIKey of N-[3-(3-bromopropyl)phenyl]-2-methylpyridine-4-carboxamide?
The InChIKey is BDTUHSQKQXHXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-12-10-14(7-9-18-12)16(20)19-15-6-2-4-13(11-15)5-3-8-17/h2,4,6-7,9-11H,3,5,8H2,1H3,(H,19,20).
What are the key properties of N-[3-(3-bromopropyl)phenyl]-2-methylpyridine-4-carboxamide?
N-[3-(3-bromopropyl)phenyl]-2-methylpyridine-4-carboxamide has a molecular weight of 333.23 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-bromopropyl)phenyl]-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 106754268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).