N-(2-bromo-1-phenylethyl)-5-methylpyridine-3-carboxamide

C15H15BrN2O — CID 113274774

IUPACN-(2-bromo-1-phenylethyl)-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)NC(CBr)c2ccccc2)c1
InChIInChI=1S/C15H15BrN2O/c1-11-7-13(10-17-9-11)15(19)18-14(8-16)12-5-3-2-4-6-12/h2-7,9-10,14H,8H2,1H3,(H,18,19)
InChIKeyMQQVIBZBEDYRBH-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.26
Rot. Bonds4

About N-(2-bromo-1-phenylethyl)-5-methylpyridine-3-carboxamide

N-(2-bromo-1-phenylethyl)-5-methylpyridine-3-carboxamide (PubChem CID 113274774) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is N-(2-bromo-1-phenylethyl)-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-1-phenylethyl)-5-methylpyridine-3-carboxamide
PubChem CID113274774
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC NameN-(2-bromo-1-phenylethyl)-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)NC(CBr)c2ccccc2)c1
InChIInChI=1S/C15H15BrN2O/c1-11-7-13(10-17-9-11)15(19)18-14(8-16)12-5-3-2-4-6-12/h2-7,9-10,14H,8H2,1H3,(H,18,19)
InChIKeyMQQVIBZBEDYRBH-UHFFFAOYSA-N
XLogP3.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.26
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-[(1S)-4-hydroxy-1-phenylbutyl]-5-methylpyridine-3-carboxamide
CID 97247823
N-(2-bromo-1-phenylethyl)pyridine-3-carboxamide
CID 113274720
N-(2-bromo-1-phenylethyl)-3,4-dihydroxybenzamide
CID 107729033
N-(2-bromo-1-phenylethyl)-3-chloro-4-methylbenzamide
CID 114311152
5-bromo-N-[(1R)-3-methyl-1-phenylbutyl]pyridine-3-carboxamide
CID 27853245
[(1R)-2-bromo-1-phenylethyl]carbamic acid
CID 146309654
N-(2-bromo-1-phenylethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 114311175
N-(2-bromo-1-phenylethyl)-4-hydroxy-2-methylbenzamide
CID 107673091
N-(2-bromo-1-phenylethyl)-5-methylfuran-2-carboxamide
CID 114311008
5-methyl-N-[(2S)-4-oxopentan-2-yl]pyridine-3-carboxamide
CID 164641680
3-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide
CID 110004090
N-(2-bromo-1-phenylethyl)-5-chloropyridine-2-carboxamide
CID 113274731

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-1-phenylethyl)-5-methylpyridine-3-carboxamide?
The IUPAC name of N-(2-bromo-1-phenylethyl)-5-methylpyridine-3-carboxamide (CID 113274774) is N-(2-bromo-1-phenylethyl)-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-1-phenylethyl)-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-(2-bromo-1-phenylethyl)-5-methylpyridine-3-carboxamide is Cc1cncc(C(=O)NC(CBr)c2ccccc2)c1.
What is the InChIKey of N-(2-bromo-1-phenylethyl)-5-methylpyridine-3-carboxamide?
The InChIKey is MQQVIBZBEDYRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-11-7-13(10-17-9-11)15(19)18-14(8-16)12-5-3-2-4-6-12/h2-7,9-10,14H,8H2,1H3,(H,18,19).
What are the key properties of N-(2-bromo-1-phenylethyl)-5-methylpyridine-3-carboxamide?
N-(2-bromo-1-phenylethyl)-5-methylpyridine-3-carboxamide has a molecular weight of 319.20 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-1-phenylethyl)-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 113274774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).