N-(3-bromo-2,5,6-trideuterio-4-pyridinyl)-N-methyl-2-phenylpropanamide

C15H15BrN2O — CID 135071720

IUPACN-(3-bromo-2,5,6-trideuterio-4-pyridinyl)-N-methyl-2-phenylpropanamide
SMILES[2H]c1nc([2H])c(Br)c(N(C)C(=O)C(C)c2ccccc2)c1[2H]
InChIInChI=1S/C15H15BrN2O/c1-11(12-6-4-3-5-7-12)15(19)18(2)14-8-9-17-10-13(14)16/h3-11H,1-2H3/i8D,9D,10D
InChIKeySZDPMRTUAXTDJA-PSSIPRAESA-N
MW322.22 g/mol
LogP3.61
Rot. Bonds3

About N-(3-bromo-2,5,6-trideuterio-4-pyridinyl)-N-methyl-2-phenylpropanamide

N-(3-bromo-2,5,6-trideuterio-4-pyridinyl)-N-methyl-2-phenylpropanamide (PubChem CID 135071720) has the molecular formula C15H15BrN2O and a molecular weight of 322.22 g/mol. Its IUPAC name is N-(3-bromo-2,5,6-trideuterio-4-pyridinyl)-N-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-(3-bromo-2,5,6-trideuterio-4-pyridinyl)-N-methyl-2-phenylpropanamide
PubChem CID135071720
Molecular FormulaC15H15BrN2O
Molecular Weight322.22 g/mol
Exact Mass321.06
IUPAC NameN-(3-bromo-2,5,6-trideuterio-4-pyridinyl)-N-methyl-2-phenylpropanamide
SMILES[2H]c1nc([2H])c(Br)c(N(C)C(=O)C(C)c2ccccc2)c1[2H]
InChIInChI=1S/C15H15BrN2O/c1-11(12-6-4-3-5-7-12)15(19)18(2)14-8-9-17-10-13(14)16/h3-11H,1-2H3/i8D,9D,10D
InChIKeySZDPMRTUAXTDJA-PSSIPRAESA-N
XLogP3.61
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2,5,6-trideuterio-4-pyridinyl)-N-methyl-2-phenylpropanamide?
The IUPAC name of N-(3-bromo-2,5,6-trideuterio-4-pyridinyl)-N-methyl-2-phenylpropanamide (CID 135071720) is N-(3-bromo-2,5,6-trideuterio-4-pyridinyl)-N-methyl-2-phenylpropanamide.
What is the SMILES notation for N-(3-bromo-2,5,6-trideuterio-4-pyridinyl)-N-methyl-2-phenylpropanamide?
The canonical SMILES for N-(3-bromo-2,5,6-trideuterio-4-pyridinyl)-N-methyl-2-phenylpropanamide is [2H]c1nc([2H])c(Br)c(N(C)C(=O)C(C)c2ccccc2)c1[2H].
What is the InChIKey of N-(3-bromo-2,5,6-trideuterio-4-pyridinyl)-N-methyl-2-phenylpropanamide?
The InChIKey is SZDPMRTUAXTDJA-PSSIPRAESA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-11(12-6-4-3-5-7-12)15(19)18(2)14-8-9-17-10-13(14)16/h3-11H,1-2H3/i8D,9D,10D.
What are the key properties of N-(3-bromo-2,5,6-trideuterio-4-pyridinyl)-N-methyl-2-phenylpropanamide?
N-(3-bromo-2,5,6-trideuterio-4-pyridinyl)-N-methyl-2-phenylpropanamide has a molecular weight of 322.22 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2,5,6-trideuterio-4-pyridinyl)-N-methyl-2-phenylpropanamide is sourced from PubChem (CID 135071720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).