N-(2-bromo-2-phenylethyl)pyridine-2-carboxamide

C14H13BrN2O — CID 114308424

IUPACN-(2-bromo-2-phenylethyl)pyridine-2-carboxamide
SMILESO=C(NCC(Br)c1ccccc1)c1ccccn1
InChIInChI=1S/C14H13BrN2O/c15-12(11-6-2-1-3-7-11)10-17-14(18)13-8-4-5-9-16-13/h1-9,12H,10H2,(H,17,18)
InChIKeyZXCNGVBKKFHCOK-UHFFFAOYSA-N
MW305.18 g/mol
LogP2.95
Rot. Bonds4

About N-(2-bromo-2-phenylethyl)pyridine-2-carboxamide

N-(2-bromo-2-phenylethyl)pyridine-2-carboxamide (PubChem CID 114308424) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is N-(2-bromo-2-phenylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-2-phenylethyl)pyridine-2-carboxamide
PubChem CID114308424
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC NameN-(2-bromo-2-phenylethyl)pyridine-2-carboxamide
SMILESO=C(NCC(Br)c1ccccc1)c1ccccn1
InChIInChI=1S/C14H13BrN2O/c15-12(11-6-2-1-3-7-11)10-17-14(18)13-8-4-5-9-16-13/h1-9,12H,10H2,(H,17,18)
InChIKeyZXCNGVBKKFHCOK-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
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-[(2R)-2-phenylpropyl]pyridine-2-carboxamide
CID 9302014
3-bromo-N-(2-bromo-2-phenylethyl)pyridine-2-carboxamide
CID 107526242
N-[2-(diethylamino)-2-phenylethyl]pyridine-2-carboxamide
CID 42917068
3-methoxy-4-(pyridine-2-carbonylamino)butanoic acid
CID 103152963
N-(2-bromo-2-phenylethyl)-2,6-dihydroxybenzamide
CID 107691090
N-[2-(4-fluorophenyl)-2-hydroxyethyl]pyridine-2-carboxamide
CID 86980947
N-(2-bromoethyl)pyridine-2-carboxamide
CID 12983473
N-(2-cyanopropyl)pyridine-2-carboxamide
CID 62651477
methyl 2-iodo-3-(pyridine-2-carbonylamino)propanoate
CID 103493160
acetic acid;N-ethylpyridine-2-carboxamide
CID 174901243
N-(2-bromo-2-phenylethyl)-2-methylbenzamide
CID 114308218
N-(2-bromo-2-phenylethyl)-2,5-dichlorobenzamide
CID 114308255

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2-phenylethyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-bromo-2-phenylethyl)pyridine-2-carboxamide (CID 114308424) is N-(2-bromo-2-phenylethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-bromo-2-phenylethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-bromo-2-phenylethyl)pyridine-2-carboxamide is O=C(NCC(Br)c1ccccc1)c1ccccn1.
What is the InChIKey of N-(2-bromo-2-phenylethyl)pyridine-2-carboxamide?
The InChIKey is ZXCNGVBKKFHCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c15-12(11-6-2-1-3-7-11)10-17-14(18)13-8-4-5-9-16-13/h1-9,12H,10H2,(H,17,18).
What are the key properties of N-(2-bromo-2-phenylethyl)pyridine-2-carboxamide?
N-(2-bromo-2-phenylethyl)pyridine-2-carboxamide has a molecular weight of 305.18 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2-phenylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 114308424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).