N-(3-bromophenyl)-5-(5-methoxy-3-pyridinyl)pyridin-3-amine

C17H14BrN3O — CID 11610088

IUPACN-(3-bromophenyl)-5-(5-methoxy-3-pyridinyl)pyridin-3-amine
SMILESCOc1cncc(-c2cncc(Nc3cccc(Br)c3)c2)c1
InChIInChI=1S/C17H14BrN3O/c1-22-17-6-13(9-20-11-17)12-5-16(10-19-8-12)21-15-4-2-3-14(18)7-15/h2-11,21H,1H3
InChIKeyFPNBIFBXKXNJMM-UHFFFAOYSA-N
MW356.22 g/mol
LogP4.66
Rot. Bonds4

About N-(3-bromophenyl)-5-(5-methoxy-3-pyridinyl)pyridin-3-amine

N-(3-bromophenyl)-5-(5-methoxy-3-pyridinyl)pyridin-3-amine (PubChem CID 11610088) has the molecular formula C17H14BrN3O and a molecular weight of 356.22 g/mol. Its IUPAC name is N-(3-bromophenyl)-5-(5-methoxy-3-pyridinyl)pyridin-3-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-5-(5-methoxy-3-pyridinyl)pyridin-3-amine
PubChem CID11610088
Molecular FormulaC17H14BrN3O
Molecular Weight356.22 g/mol
Exact Mass355.03
IUPAC NameN-(3-bromophenyl)-5-(5-methoxy-3-pyridinyl)pyridin-3-amine
SMILESCOc1cncc(-c2cncc(Nc3cccc(Br)c3)c2)c1
InChIInChI=1S/C17H14BrN3O/c1-22-17-6-13(9-20-11-17)12-5-16(10-19-8-12)21-15-4-2-3-14(18)7-15/h2-11,21H,1H3
InChIKeyFPNBIFBXKXNJMM-UHFFFAOYSA-N
XLogP4.66
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-5-(5-methoxy-3-pyridinyl)pyridin-3-amine?
The IUPAC name of N-(3-bromophenyl)-5-(5-methoxy-3-pyridinyl)pyridin-3-amine (CID 11610088) is N-(3-bromophenyl)-5-(5-methoxy-3-pyridinyl)pyridin-3-amine.
What is the SMILES notation for N-(3-bromophenyl)-5-(5-methoxy-3-pyridinyl)pyridin-3-amine?
The canonical SMILES for N-(3-bromophenyl)-5-(5-methoxy-3-pyridinyl)pyridin-3-amine is COc1cncc(-c2cncc(Nc3cccc(Br)c3)c2)c1.
What is the InChIKey of N-(3-bromophenyl)-5-(5-methoxy-3-pyridinyl)pyridin-3-amine?
The InChIKey is FPNBIFBXKXNJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O/c1-22-17-6-13(9-20-11-17)12-5-16(10-19-8-12)21-15-4-2-3-14(18)7-15/h2-11,21H,1H3.
What are the key properties of N-(3-bromophenyl)-5-(5-methoxy-3-pyridinyl)pyridin-3-amine?
N-(3-bromophenyl)-5-(5-methoxy-3-pyridinyl)pyridin-3-amine has a molecular weight of 356.22 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-5-(5-methoxy-3-pyridinyl)pyridin-3-amine is sourced from PubChem (CID 11610088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).