2-bromo-N-[5-(6-methyl-2-pyridinyl)-2-pyridinyl]propanamide

C14H14BrN3O — CID 163237996

IUPAC2-bromo-N-[5-(6-methyl-2-pyridinyl)-2-pyridinyl]propanamide
SMILESCc1cccc(-c2ccc(NC(=O)C(C)Br)nc2)n1
InChIInChI=1S/C14H14BrN3O/c1-9-4-3-5-12(17-9)11-6-7-13(16-8-11)18-14(19)10(2)15/h3-8,10H,1-2H3,(H,16,18,19)
InChIKeyYOCMVZXXKHAHQB-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.17
Rot. Bonds3

About 2-bromo-N-[5-(6-methyl-2-pyridinyl)-2-pyridinyl]propanamide

2-bromo-N-[5-(6-methyl-2-pyridinyl)-2-pyridinyl]propanamide (PubChem CID 163237996) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 2-bromo-N-[5-(6-methyl-2-pyridinyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-bromo-N-[5-(6-methyl-2-pyridinyl)-2-pyridinyl]propanamide
PubChem CID163237996
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name2-bromo-N-[5-(6-methyl-2-pyridinyl)-2-pyridinyl]propanamide
SMILESCc1cccc(-c2ccc(NC(=O)C(C)Br)nc2)n1
InChIInChI=1S/C14H14BrN3O/c1-9-4-3-5-12(17-9)11-6-7-13(16-8-11)18-14(19)10(2)15/h3-8,10H,1-2H3,(H,16,18,19)
InChIKeyYOCMVZXXKHAHQB-UHFFFAOYSA-N
XLogP3.17
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[5-(6-methyl-2-pyridinyl)-2-pyridinyl]propanamide?
The IUPAC name of 2-bromo-N-[5-(6-methyl-2-pyridinyl)-2-pyridinyl]propanamide (CID 163237996) is 2-bromo-N-[5-(6-methyl-2-pyridinyl)-2-pyridinyl]propanamide.
What is the SMILES notation for 2-bromo-N-[5-(6-methyl-2-pyridinyl)-2-pyridinyl]propanamide?
The canonical SMILES for 2-bromo-N-[5-(6-methyl-2-pyridinyl)-2-pyridinyl]propanamide is Cc1cccc(-c2ccc(NC(=O)C(C)Br)nc2)n1.
What is the InChIKey of 2-bromo-N-[5-(6-methyl-2-pyridinyl)-2-pyridinyl]propanamide?
The InChIKey is YOCMVZXXKHAHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-9-4-3-5-12(17-9)11-6-7-13(16-8-11)18-14(19)10(2)15/h3-8,10H,1-2H3,(H,16,18,19).
What are the key properties of 2-bromo-N-[5-(6-methyl-2-pyridinyl)-2-pyridinyl]propanamide?
2-bromo-N-[5-(6-methyl-2-pyridinyl)-2-pyridinyl]propanamide has a molecular weight of 320.19 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[5-(6-methyl-2-pyridinyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 163237996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).