N-[(5-bromofuran-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine

C14H16BrN3O2 — CID 43724750

IUPACN-[(5-bromofuran-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine
SMILESBrc1ccc(CNc2ccc(N3CCOCC3)nc2)o1
InChIInChI=1S/C14H16BrN3O2/c15-13-3-2-12(20-13)10-16-11-1-4-14(17-9-11)18-5-7-19-8-6-18/h1-4,9,16H,5-8,10H2
InChIKeyPMEDZBWSTCZCIM-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.89
Rot. Bonds4

About N-[(5-bromofuran-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine

N-[(5-bromofuran-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine (PubChem CID 43724750) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine
PubChem CID43724750
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine
SMILESBrc1ccc(CNc2ccc(N3CCOCC3)nc2)o1
InChIInChI=1S/C14H16BrN3O2/c15-13-3-2-12(20-13)10-16-11-1-4-14(17-9-11)18-5-7-19-8-6-18/h1-4,9,16H,5-8,10H2
InChIKeyPMEDZBWSTCZCIM-UHFFFAOYSA-N
XLogP2.89
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,5-dibromofuran-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine
CID 62084831
N-benzyl-6-morpholin-4-ylpyridin-3-amine
CID 43724757
N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylpyridin-3-amine
CID 43724722
N-(furan-3-ylmethyl)-6-morpholin-4-ylpyridin-3-amine
CID 63204595
6-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 43724741
N-[(5-methylthiophen-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine
CID 43724710
N-(1H-imidazol-5-ylmethyl)-6-morpholin-4-ylpyridin-3-amine
CID 62761397
N-butyl-6-morpholin-4-ylpyridin-3-amine
CID 43724794
N-[(3-methylthiophen-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine
CID 43724746
N'-tert-butyl-N-(6-morpholin-4-yl-3-pyridinyl)ethane-1,2-diamine
CID 107445126
6-morpholin-4-yl-N-(piperidin-4-ylmethyl)pyridin-3-amine
CID 79708177
N-[(1-ethylpyrazol-4-yl)methyl]-6-morpholin-4-ylpyridin-3-amine
CID 103823635

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine (CID 43724750) is N-[(5-bromofuran-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine is Brc1ccc(CNc2ccc(N3CCOCC3)nc2)o1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine?
The InChIKey is PMEDZBWSTCZCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c15-13-3-2-12(20-13)10-16-11-1-4-14(17-9-11)18-5-7-19-8-6-18/h1-4,9,16H,5-8,10H2.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine?
N-[(5-bromofuran-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine has a molecular weight of 338.21 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine is sourced from PubChem (CID 43724750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).