N-[4-(bromomethyl)phenyl]-6-methylpyridine-3-carboxamide

C14H13BrN2O — CID 113274656

IUPACN-[4-(bromomethyl)phenyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(CBr)cc2)cn1
InChIInChI=1S/C14H13BrN2O/c1-10-2-5-12(9-16-10)14(18)17-13-6-3-11(8-15)4-7-13/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyJTILLRDJGKJRSZ-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.54
Rot. Bonds3

About N-[4-(bromomethyl)phenyl]-6-methylpyridine-3-carboxamide

N-[4-(bromomethyl)phenyl]-6-methylpyridine-3-carboxamide (PubChem CID 113274656) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is N-[4-(bromomethyl)phenyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(bromomethyl)phenyl]-6-methylpyridine-3-carboxamide
PubChem CID113274656
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC NameN-[4-(bromomethyl)phenyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(CBr)cc2)cn1
InChIInChI=1S/C14H13BrN2O/c1-10-2-5-12(9-16-10)14(18)17-13-6-3-11(8-15)4-7-13/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyJTILLRDJGKJRSZ-UHFFFAOYSA-N
XLogP3.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.54
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-[4-(2-hydroxyethyl)phenyl]-6-methylpyridine-3-carboxamide
CID 51985113
N-[4-(ethylaminomethyl)phenyl]-6-methylpyridine-3-carboxamide
CID 106910201
N-[4-(bromomethyl)phenyl]-4-methylbenzamide
CID 113274673
methyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate
CID 18148097
6-methyl-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 38477101
N-[4-(2-hydroxyethoxy)phenyl]-6-methylpyridine-3-carboxamide
CID 111113144
propyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate
CID 51331436
N-(4-amino-3-bromophenyl)-6-methylpyridine-3-carboxamide
CID 82861470
N-(4-chlorophenyl)-6-methylpyridine-3-carboxamide;methylsulfanylethane;propane
CID 143393638
N-[4-(bromomethyl)phenyl]-4-(dimethylamino)benzamide
CID 114310879
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-6-methylpyridine-3-carboxamide
CID 166215479
4-iodo-N-(6-methyl-3-pyridinyl)benzamide
CID 59706920

Frequently Asked Questions

What is the IUPAC name of N-[4-(bromomethyl)phenyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[4-(bromomethyl)phenyl]-6-methylpyridine-3-carboxamide (CID 113274656) is N-[4-(bromomethyl)phenyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-(bromomethyl)phenyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[4-(bromomethyl)phenyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(CBr)cc2)cn1.
What is the InChIKey of N-[4-(bromomethyl)phenyl]-6-methylpyridine-3-carboxamide?
The InChIKey is JTILLRDJGKJRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-10-2-5-12(9-16-10)14(18)17-13-6-3-11(8-15)4-7-13/h2-7,9H,8H2,1H3,(H,17,18).
What are the key properties of N-[4-(bromomethyl)phenyl]-6-methylpyridine-3-carboxamide?
N-[4-(bromomethyl)phenyl]-6-methylpyridine-3-carboxamide has a molecular weight of 305.18 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(bromomethyl)phenyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 113274656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).