N-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]acetamide

C14H14BrN3O — CID 112581693

IUPACN-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2cccc(Br)n2)cc1
InChIInChI=1S/C14H14BrN3O/c1-10(19)17-12-7-5-11(6-8-12)16-9-13-3-2-4-14(15)18-13/h2-8,16H,9H2,1H3,(H,17,19)
InChIKeyDFQFVSFJBFPRRM-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.41
Rot. Bonds4

About N-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]acetamide

N-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]acetamide (PubChem CID 112581693) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is N-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]acetamide
PubChem CID112581693
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC NameN-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2cccc(Br)n2)cc1
InChIInChI=1S/C14H14BrN3O/c1-10(19)17-12-7-5-11(6-8-12)16-9-13-3-2-4-14(15)18-13/h2-8,16H,9H2,1H3,(H,17,19)
InChIKeyDFQFVSFJBFPRRM-UHFFFAOYSA-N
XLogP3.41
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]-2-methoxyacetamide
CID 115937980
N-[(6-bromo-2-pyridinyl)methyl]-4-propan-2-ylaniline
CID 112581739
N-[(6-bromo-2-pyridinyl)methyl]-4-iodoaniline
CID 112581894
propyl 4-[(6-bromo-2-pyridinyl)methylamino]benzoate
CID 115937833
4-[(6-bromo-2-pyridinyl)methylamino]benzenesulfonamide
CID 112581748
4-[(6-bromo-2-pyridinyl)methylamino]-N-cyclopropylbenzamide
CID 115937911
N-[3-[1-[(6-bromo-2-pyridinyl)methylamino]ethyl]phenyl]acetamide
CID 115937822
methyl 5-[(6-bromo-2-pyridinyl)methylamino]-2-fluorobenzoate
CID 115937972
5-[(6-bromo-2-pyridinyl)methylamino]-2-fluorobenzamide
CID 112582017
N-[(6-bromo-2-pyridinyl)methyl]-3-iodo-4-methylaniline
CID 112582027
(6-bromo-2-pyridinyl)methylcarbamic acid
CID 87415721
N-[(6-bromo-2-pyridinyl)methyl]-3,5-dichloroaniline
CID 112581737

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]acetamide?
The IUPAC name of N-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]acetamide (CID 112581693) is N-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]acetamide is CC(=O)Nc1ccc(NCc2cccc(Br)n2)cc1.
What is the InChIKey of N-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]acetamide?
The InChIKey is DFQFVSFJBFPRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-10(19)17-12-7-5-11(6-8-12)16-9-13-3-2-4-14(15)18-13/h2-8,16H,9H2,1H3,(H,17,19).
What are the key properties of N-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]acetamide?
N-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]acetamide has a molecular weight of 320.19 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]acetamide is sourced from PubChem (CID 112581693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).