1-(2-morpholin-4-yl-3-pyridinyl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]methanamine

C20H27N3O3 — CID 45214040

IUPAC1-(2-morpholin-4-yl-3-pyridinyl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]methanamine
SMILESc1cnc(N2CCOCC2)c(CNCc2ccc(C3CCCCO3)o2)c1
InChIInChI=1S/C20H27N3O3/c1-2-11-25-18(5-1)19-7-6-17(26-19)15-21-14-16-4-3-8-22-20(16)23-9-12-24-13-10-23/h3-4,6-8,18,21H,1-2,5,9-15H2
InChIKeyNVMKWJVGWOMBOC-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.04
Rot. Bonds6

About 1-(2-morpholin-4-yl-3-pyridinyl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]methanamine

1-(2-morpholin-4-yl-3-pyridinyl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]methanamine (PubChem CID 45214040) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 1-(2-morpholin-4-yl-3-pyridinyl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(2-morpholin-4-yl-3-pyridinyl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]methanamine
PubChem CID45214040
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name1-(2-morpholin-4-yl-3-pyridinyl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]methanamine
SMILESc1cnc(N2CCOCC2)c(CNCc2ccc(C3CCCCO3)o2)c1
InChIInChI=1S/C20H27N3O3/c1-2-11-25-18(5-1)19-7-6-17(26-19)15-21-14-16-4-3-8-22-20(16)23-9-12-24-13-10-23/h3-4,6-8,18,21H,1-2,5,9-15H2
InChIKeyNVMKWJVGWOMBOC-UHFFFAOYSA-N
XLogP3.04
TPSA59.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-yl-3-pyridinyl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]methanamine?
The IUPAC name of 1-(2-morpholin-4-yl-3-pyridinyl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]methanamine (CID 45214040) is 1-(2-morpholin-4-yl-3-pyridinyl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]methanamine.
What is the SMILES notation for 1-(2-morpholin-4-yl-3-pyridinyl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]methanamine?
The canonical SMILES for 1-(2-morpholin-4-yl-3-pyridinyl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]methanamine is c1cnc(N2CCOCC2)c(CNCc2ccc(C3CCCCO3)o2)c1.
What is the InChIKey of 1-(2-morpholin-4-yl-3-pyridinyl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]methanamine?
The InChIKey is NVMKWJVGWOMBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-2-11-25-18(5-1)19-7-6-17(26-19)15-21-14-16-4-3-8-22-20(16)23-9-12-24-13-10-23/h3-4,6-8,18,21H,1-2,5,9-15H2.
What are the key properties of 1-(2-morpholin-4-yl-3-pyridinyl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]methanamine?
1-(2-morpholin-4-yl-3-pyridinyl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]methanamine has a molecular weight of 357.45 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-yl-3-pyridinyl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]methanamine is sourced from PubChem (CID 45214040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).