N-(3-bromophenyl)-2-[(6-methoxy-3-pyridinyl)methylamino]acetamide

C15H16BrN3O2 — CID 62989587

IUPACN-(3-bromophenyl)-2-[(6-methoxy-3-pyridinyl)methylamino]acetamide
SMILESCOc1ccc(CNCC(=O)Nc2cccc(Br)c2)cn1
InChIInChI=1S/C15H16BrN3O2/c1-21-15-6-5-11(9-18-15)8-17-10-14(20)19-13-4-2-3-12(16)7-13/h2-7,9,17H,8,10H2,1H3,(H,19,20)
InChIKeyHRWWGDQHRBQWEV-UHFFFAOYSA-N
MW350.22 g/mol
LogP2.58
Rot. Bonds6

About N-(3-bromophenyl)-2-[(6-methoxy-3-pyridinyl)methylamino]acetamide

N-(3-bromophenyl)-2-[(6-methoxy-3-pyridinyl)methylamino]acetamide (PubChem CID 62989587) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[(6-methoxy-3-pyridinyl)methylamino]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[(6-methoxy-3-pyridinyl)methylamino]acetamide
PubChem CID62989587
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC NameN-(3-bromophenyl)-2-[(6-methoxy-3-pyridinyl)methylamino]acetamide
SMILESCOc1ccc(CNCC(=O)Nc2cccc(Br)c2)cn1
InChIInChI=1S/C15H16BrN3O2/c1-21-15-6-5-11(9-18-15)8-17-10-14(20)19-13-4-2-3-12(16)7-13/h2-7,9,17H,8,10H2,1H3,(H,19,20)
InChIKeyHRWWGDQHRBQWEV-UHFFFAOYSA-N
XLogP2.58
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-2-[(6-methoxy-3-pyridinyl)methylamino]acetamide
CID 62989750
N-(2-bromophenyl)-2-[(6-methoxy-3-pyridinyl)methylamino]acetamide
CID 62989583
N-ethyl-2-[(6-methoxy-3-pyridinyl)methylamino]acetamide
CID 62990480
2-[(6-methoxy-3-pyridinyl)methylamino]-N-(3-methylbutan-2-yl)acetamide
CID 62990803
N-(3-bromophenyl)-2-(2-methylprop-2-enylamino)acetamide
CID 115745377
N-(3-bromophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide
CID 61283814
3-[(6-methoxy-3-pyridinyl)methylamino]-N-methylbenzamide
CID 114936335
N-(3-bromophenyl)-2-(2-methylbutylamino)acetamide
CID 62693083
propan-2-yl 2-[(6-methoxy-3-pyridinyl)methylamino]acetate
CID 62990974
2-[(5-bromo-2-fluorophenyl)methylamino]-N-(3-bromophenyl)acetamide
CID 61300625
2-[(6-methoxy-3-pyridinyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63097814
1-[(6-methoxy-3-pyridinyl)methyl]-3-[3-(2-phenylethynyl)phenyl]urea
CID 112825472

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[(6-methoxy-3-pyridinyl)methylamino]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[(6-methoxy-3-pyridinyl)methylamino]acetamide (CID 62989587) is N-(3-bromophenyl)-2-[(6-methoxy-3-pyridinyl)methylamino]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[(6-methoxy-3-pyridinyl)methylamino]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[(6-methoxy-3-pyridinyl)methylamino]acetamide is COc1ccc(CNCC(=O)Nc2cccc(Br)c2)cn1.
What is the InChIKey of N-(3-bromophenyl)-2-[(6-methoxy-3-pyridinyl)methylamino]acetamide?
The InChIKey is HRWWGDQHRBQWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c1-21-15-6-5-11(9-18-15)8-17-10-14(20)19-13-4-2-3-12(16)7-13/h2-7,9,17H,8,10H2,1H3,(H,19,20).
What are the key properties of N-(3-bromophenyl)-2-[(6-methoxy-3-pyridinyl)methylamino]acetamide?
N-(3-bromophenyl)-2-[(6-methoxy-3-pyridinyl)methylamino]acetamide has a molecular weight of 350.22 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[(6-methoxy-3-pyridinyl)methylamino]acetamide is sourced from PubChem (CID 62989587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).