N-[1-(4-iodophenyl)ethyl]-6-morpholin-4-ylpyridin-3-amine

C17H20IN3O — CID 112831674

IUPACN-[1-(4-iodophenyl)ethyl]-6-morpholin-4-ylpyridin-3-amine
SMILESCC(Nc1ccc(N2CCOCC2)nc1)c1ccc(I)cc1
InChIInChI=1S/C17H20IN3O/c1-13(14-2-4-15(18)5-3-14)20-16-6-7-17(19-12-16)21-8-10-22-11-9-21/h2-7,12-13,20H,8-11H2,1H3
InChIKeyNBYDZPCQWHAPCO-UHFFFAOYSA-N
MW409.27 g/mol
LogP3.70
Rot. Bonds4

About N-[1-(4-iodophenyl)ethyl]-6-morpholin-4-ylpyridin-3-amine

N-[1-(4-iodophenyl)ethyl]-6-morpholin-4-ylpyridin-3-amine (PubChem CID 112831674) has the molecular formula C17H20IN3O and a molecular weight of 409.27 g/mol. Its IUPAC name is N-[1-(4-iodophenyl)ethyl]-6-morpholin-4-ylpyridin-3-amine.

Molecular Properties

Compound NameN-[1-(4-iodophenyl)ethyl]-6-morpholin-4-ylpyridin-3-amine
PubChem CID112831674
Molecular FormulaC17H20IN3O
Molecular Weight409.27 g/mol
Exact Mass409.07
IUPAC NameN-[1-(4-iodophenyl)ethyl]-6-morpholin-4-ylpyridin-3-amine
SMILESCC(Nc1ccc(N2CCOCC2)nc1)c1ccc(I)cc1
InChIInChI=1S/C17H20IN3O/c1-13(14-2-4-15(18)5-3-14)20-16-6-7-17(19-12-16)21-8-10-22-11-9-21/h2-7,12-13,20H,8-11H2,1H3
InChIKeyNBYDZPCQWHAPCO-UHFFFAOYSA-N
XLogP3.70
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.27
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-morpholin-4-yl-N-(1-pyridin-4-ylethyl)pyridin-3-amine
CID 43724774
N-[1-(4-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689538
4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 20750181
N-[1-(4-bromothiophen-2-yl)ethyl]-6-morpholin-4-ylpyridin-3-amine
CID 107167817
N-(1-cyclopentylethyl)-6-morpholin-4-ylpyridin-3-amine
CID 62631562
1-(6-morpholin-4-yl-3-pyridinyl)ethanol
CID 79886021
1-(6-morpholin-4-yl-3-pyridinyl)-3-(1-phenylethyl)thiourea
CID 133149882
N-(4-iodophenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17489612
N'-tert-butyl-N-(6-morpholin-4-yl-3-pyridinyl)ethane-1,2-diamine
CID 107445126
1,2-bis(6-morpholin-4-yl-3-pyridinyl)ethane-1,2-diol
CID 118482519
N-(3-methoxy-2-methylpropyl)-6-morpholin-4-ylpyridin-3-amine
CID 116501035
N-butyl-6-morpholin-4-ylpyridin-3-amine
CID 43724794

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-iodophenyl)ethyl]-6-morpholin-4-ylpyridin-3-amine?
The IUPAC name of N-[1-(4-iodophenyl)ethyl]-6-morpholin-4-ylpyridin-3-amine (CID 112831674) is N-[1-(4-iodophenyl)ethyl]-6-morpholin-4-ylpyridin-3-amine.
What is the SMILES notation for N-[1-(4-iodophenyl)ethyl]-6-morpholin-4-ylpyridin-3-amine?
The canonical SMILES for N-[1-(4-iodophenyl)ethyl]-6-morpholin-4-ylpyridin-3-amine is CC(Nc1ccc(N2CCOCC2)nc1)c1ccc(I)cc1.
What is the InChIKey of N-[1-(4-iodophenyl)ethyl]-6-morpholin-4-ylpyridin-3-amine?
The InChIKey is NBYDZPCQWHAPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20IN3O/c1-13(14-2-4-15(18)5-3-14)20-16-6-7-17(19-12-16)21-8-10-22-11-9-21/h2-7,12-13,20H,8-11H2,1H3.
What are the key properties of N-[1-(4-iodophenyl)ethyl]-6-morpholin-4-ylpyridin-3-amine?
N-[1-(4-iodophenyl)ethyl]-6-morpholin-4-ylpyridin-3-amine has a molecular weight of 409.27 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-iodophenyl)ethyl]-6-morpholin-4-ylpyridin-3-amine is sourced from PubChem (CID 112831674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).