N-(3-bromophenyl)-3-(3-pyridin-4-ylpropoxy)pyridin-2-amine

C19H18BrN3O — CID 12051154

IUPACN-(3-bromophenyl)-3-(3-pyridin-4-ylpropoxy)pyridin-2-amine
SMILESBrc1cccc(Nc2ncccc2OCCCc2ccncc2)c1
InChIInChI=1S/C19H18BrN3O/c20-16-5-1-6-17(14-16)23-19-18(7-2-10-22-19)24-13-3-4-15-8-11-21-12-9-15/h1-2,5-12,14H,3-4,13H2,(H,22,23)
InChIKeyQDMHJWYVHSILTK-UHFFFAOYSA-N
MW384.28 g/mol
LogP4.99
Rot. Bonds7

About N-(3-bromophenyl)-3-(3-pyridin-4-ylpropoxy)pyridin-2-amine

N-(3-bromophenyl)-3-(3-pyridin-4-ylpropoxy)pyridin-2-amine (PubChem CID 12051154) has the molecular formula C19H18BrN3O and a molecular weight of 384.28 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-(3-pyridin-4-ylpropoxy)pyridin-2-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-(3-pyridin-4-ylpropoxy)pyridin-2-amine
PubChem CID12051154
Molecular FormulaC19H18BrN3O
Molecular Weight384.28 g/mol
Exact Mass383.06
IUPAC NameN-(3-bromophenyl)-3-(3-pyridin-4-ylpropoxy)pyridin-2-amine
SMILESBrc1cccc(Nc2ncccc2OCCCc2ccncc2)c1
InChIInChI=1S/C19H18BrN3O/c20-16-5-1-6-17(14-16)23-19-18(7-2-10-22-19)24-13-3-4-15-8-11-21-12-9-15/h1-2,5-12,14H,3-4,13H2,(H,22,23)
InChIKeyQDMHJWYVHSILTK-UHFFFAOYSA-N
XLogP4.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-3-benzyloxypyridine
CID 90334
U 101958
CID 5615
1-(3-Benzyloxy-2-pyridyl)-3-phenyl-urea
CID 3663276
6-({[5-({[2-(3-Fluorophenyl)ethyl]amino}methyl)pyridin-3-Yl]oxy}methyl)-4-Methylpyridin-2-Amine
CID 71627414
N*2*-(2-Phenoxy-ethyl)-N*4*-((S)-1-phenyl-ethyl)-pyridine-2,4-diamine
CID 44393073
N*4*-(2-Phenoxy-ethyl)-N*2*-((S)-1-phenyl-ethyl)-pyridine-2,4-diamine
CID 44393192
N-(2-methoxyphenyl)-4-(2-(2-methoxyphenylamino)pyridin-4-yl)pyridin-2-amine
CID 10475988
N-(2-ethoxyphenyl)-4-(2-(2-ethoxyphenylamino)pyridin-4-yl)pyridin-2-amine
CID 10477561
5-Ethoxy-6-(6-methyl-pyridin-2-ylamino)-nicotinonitrile
CID 11172830
5'-ethoxy-N-(6-methylpyridin-2-yl)-2,3'-bipyridin-6'-amine
CID 11220495
(5-Ethoxy-[3,3'']bipyridinyl-6-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11232032
[3-Ethoxy-5-(3-fluoro-phenyl)-pyridin-2-yl]-(6-methyl-pyridin-2-yl)-amine
CID 11267265

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-(3-pyridin-4-ylpropoxy)pyridin-2-amine?
The IUPAC name of N-(3-bromophenyl)-3-(3-pyridin-4-ylpropoxy)pyridin-2-amine (CID 12051154) is N-(3-bromophenyl)-3-(3-pyridin-4-ylpropoxy)pyridin-2-amine.
What is the SMILES notation for N-(3-bromophenyl)-3-(3-pyridin-4-ylpropoxy)pyridin-2-amine?
The canonical SMILES for N-(3-bromophenyl)-3-(3-pyridin-4-ylpropoxy)pyridin-2-amine is Brc1cccc(Nc2ncccc2OCCCc2ccncc2)c1.
What is the InChIKey of N-(3-bromophenyl)-3-(3-pyridin-4-ylpropoxy)pyridin-2-amine?
The InChIKey is QDMHJWYVHSILTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O/c20-16-5-1-6-17(14-16)23-19-18(7-2-10-22-19)24-13-3-4-15-8-11-21-12-9-15/h1-2,5-12,14H,3-4,13H2,(H,22,23).
What are the key properties of N-(3-bromophenyl)-3-(3-pyridin-4-ylpropoxy)pyridin-2-amine?
N-(3-bromophenyl)-3-(3-pyridin-4-ylpropoxy)pyridin-2-amine has a molecular weight of 384.28 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-(3-pyridin-4-ylpropoxy)pyridin-2-amine is sourced from PubChem (CID 12051154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).