N-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide

C15H15BrN2O — CID 975977

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide
SMILESCc1nc(NC(=O)CCc2ccccc2)ccc1Br
InChIInChI=1S/C15H15BrN2O/c1-11-13(16)8-9-14(17-11)18-15(19)10-7-12-5-3-2-4-6-12/h2-6,8-9H,7,10H2,1H3,(H,17,18,19)
InChIKeyUIZBXTSYACZJNP-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.72
Rot. Bonds4

About N-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide

N-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide (PubChem CID 975977) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide
PubChem CID975977
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide
SMILESCc1nc(NC(=O)CCc2ccccc2)ccc1Br
InChIInChI=1S/C15H15BrN2O/c1-11-13(16)8-9-14(17-11)18-15(19)10-7-12-5-3-2-4-6-12/h2-6,8-9H,7,10H2,1H3,(H,17,18,19)
InChIKeyUIZBXTSYACZJNP-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide (CID 975977) is N-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide is Cc1nc(NC(=O)CCc2ccccc2)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide?
The InChIKey is UIZBXTSYACZJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-11-13(16)8-9-14(17-11)18-15(19)10-7-12-5-3-2-4-6-12/h2-6,8-9H,7,10H2,1H3,(H,17,18,19).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide?
N-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide has a molecular weight of 319.20 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide is sourced from PubChem (CID 975977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).