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

C16H16BrN3O — CID 115937911

IUPAC4-[(6-bromo-2-pyridinyl)methylamino]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccc(NCc2cccc(Br)n2)cc1
InChIInChI=1S/C16H16BrN3O/c17-15-3-1-2-14(19-15)10-18-12-6-4-11(5-7-12)16(21)20-13-8-9-13/h1-7,13,18H,8-10H2,(H,20,21)
InChIKeyDAEDJTSWSDJYQK-UHFFFAOYSA-N
MW346.23 g/mol
LogP3.35
Rot. Bonds5

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

4-[(6-bromo-2-pyridinyl)methylamino]-N-cyclopropylbenzamide (PubChem CID 115937911) has the molecular formula C16H16BrN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is 4-[(6-bromo-2-pyridinyl)methylamino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[(6-bromo-2-pyridinyl)methylamino]-N-cyclopropylbenzamide
PubChem CID115937911
Molecular FormulaC16H16BrN3O
Molecular Weight346.23 g/mol
Exact Mass345.05
IUPAC Name4-[(6-bromo-2-pyridinyl)methylamino]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccc(NCc2cccc(Br)n2)cc1
InChIInChI=1S/C16H16BrN3O/c17-15-3-1-2-14(19-15)10-18-12-6-4-11(5-7-12)16(21)20-13-8-9-13/h1-7,13,18H,8-10H2,(H,20,21)
InChIKeyDAEDJTSWSDJYQK-UHFFFAOYSA-N
XLogP3.35
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 53.35
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-cyclopropyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757581
4-[(3-bromothiophen-2-yl)methylamino]-N-cyclopropylbenzamide
CID 115379931
N-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]-2-methoxyacetamide
CID 115937980
N-(oxan-4-yl)-4-(1,2-oxazol-3-ylmethylamino)benzamide
CID 71973649
N-cyclopropyl-4-(thiophen-3-ylmethylamino)benzamide
CID 43687516
N-cyclopropyl-4-(pentylamino)benzamide
CID 43687480
N-cyclopropyl-4-(methylamino)benzamide
CID 62170956
4-N-(3-bromophenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043419
N-cyclobutyl-4-(propylamino)benzamide
CID 55067083
N-cyclopropyl-4-(2,2-dimethoxyethylamino)benzamide
CID 63698290
N-cyclopropyl-4-(3-methylsulfanylpropylamino)benzamide
CID 43687486
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568

Frequently Asked Questions

What is the IUPAC name of 4-[(6-bromo-2-pyridinyl)methylamino]-N-cyclopropylbenzamide?
The IUPAC name of 4-[(6-bromo-2-pyridinyl)methylamino]-N-cyclopropylbenzamide (CID 115937911) is 4-[(6-bromo-2-pyridinyl)methylamino]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[(6-bromo-2-pyridinyl)methylamino]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[(6-bromo-2-pyridinyl)methylamino]-N-cyclopropylbenzamide is O=C(NC1CC1)c1ccc(NCc2cccc(Br)n2)cc1.
What is the InChIKey of 4-[(6-bromo-2-pyridinyl)methylamino]-N-cyclopropylbenzamide?
The InChIKey is DAEDJTSWSDJYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O/c17-15-3-1-2-14(19-15)10-18-12-6-4-11(5-7-12)16(21)20-13-8-9-13/h1-7,13,18H,8-10H2,(H,20,21).
What are the key properties of 4-[(6-bromo-2-pyridinyl)methylamino]-N-cyclopropylbenzamide?
4-[(6-bromo-2-pyridinyl)methylamino]-N-cyclopropylbenzamide has a molecular weight of 346.23 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-bromo-2-pyridinyl)methylamino]-N-cyclopropylbenzamide is sourced from PubChem (CID 115937911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).