N-[[4-(bromomethyl)phenyl]methyl]pyridine-4-carboxamide

C14H13BrN2O — CID 107233792

IUPACN-[[4-(bromomethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(CBr)cc1)c1ccncc1
InChIInChI=1S/C14H13BrN2O/c15-9-11-1-3-12(4-2-11)10-17-14(18)13-5-7-16-8-6-13/h1-8H,9-10H2,(H,17,18)
InChIKeyLAEUNFPHNJAWKV-UHFFFAOYSA-N
MW305.18 g/mol
LogP2.91
Rot. Bonds4

About N-[[4-(bromomethyl)phenyl]methyl]pyridine-4-carboxamide

N-[[4-(bromomethyl)phenyl]methyl]pyridine-4-carboxamide (PubChem CID 107233792) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is N-[[4-(bromomethyl)phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(bromomethyl)phenyl]methyl]pyridine-4-carboxamide
PubChem CID107233792
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC NameN-[[4-(bromomethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(CBr)cc1)c1ccncc1
InChIInChI=1S/C14H13BrN2O/c15-9-11-1-3-12(4-2-11)10-17-14(18)13-5-7-16-8-6-13/h1-8H,9-10H2,(H,17,18)
InChIKeyLAEUNFPHNJAWKV-UHFFFAOYSA-N
XLogP2.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 52.91
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-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110784452
N-[[4-(bromomethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 107233872
N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
CID 12883301
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide
CID 71918325
N-[(4-propan-2-ylsulfanylphenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110784665
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-4-carboxamide;hydrochloride
CID 110779703
N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 60755457
N-[(3-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 47292120
N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]pyridine-4-carboxamide
CID 110444852
N-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 110730530
(2S)-2-amino-3-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]propanoic acid
CID 146352515

Frequently Asked Questions

What is the IUPAC name of N-[[4-(bromomethyl)phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[4-(bromomethyl)phenyl]methyl]pyridine-4-carboxamide (CID 107233792) is N-[[4-(bromomethyl)phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[4-(bromomethyl)phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[4-(bromomethyl)phenyl]methyl]pyridine-4-carboxamide is O=C(NCc1ccc(CBr)cc1)c1ccncc1.
What is the InChIKey of N-[[4-(bromomethyl)phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is LAEUNFPHNJAWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c15-9-11-1-3-12(4-2-11)10-17-14(18)13-5-7-16-8-6-13/h1-8H,9-10H2,(H,17,18).
What are the key properties of N-[[4-(bromomethyl)phenyl]methyl]pyridine-4-carboxamide?
N-[[4-(bromomethyl)phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 305.18 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(bromomethyl)phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 107233792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).