6-[[9-(furan-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]amino]pyridine-2-carbonitrile

C19H22N4O2 — CID 131652029

IUPAC6-[[9-(furan-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]amino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(NC2COC3(CCCN(Cc4ccoc4)C3)C2)n1
InChIInChI=1S/C19H22N4O2/c20-10-16-3-1-4-18(21-16)22-17-9-19(25-13-17)6-2-7-23(14-19)11-15-5-8-24-12-15/h1,3-5,8,12,17H,2,6-7,9,11,13-14H2,(H,21,22)
InChIKeyMLLXNQVDFDOQNK-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.78
Rot. Bonds4

About 6-[[9-(furan-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]amino]pyridine-2-carbonitrile

6-[[9-(furan-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]amino]pyridine-2-carbonitrile (PubChem CID 131652029) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 6-[[9-(furan-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[9-(furan-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]amino]pyridine-2-carbonitrile
PubChem CID131652029
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name6-[[9-(furan-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]amino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(NC2COC3(CCCN(Cc4ccoc4)C3)C2)n1
InChIInChI=1S/C19H22N4O2/c20-10-16-3-1-4-18(21-16)22-17-9-19(25-13-17)6-2-7-23(14-19)11-15-5-8-24-12-15/h1,3-5,8,12,17H,2,6-7,9,11,13-14H2,(H,21,22)
InChIKeyMLLXNQVDFDOQNK-UHFFFAOYSA-N
XLogP2.78
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[[9-(furan-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]amino]pyridine-2-carbonitrile with MolForge

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Related Compounds

6-[[7-(furan-3-ylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]amino]pyridine-2-carbonitrile
CID 131640132
6-[[9-(pyridin-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]amino]pyridine-2-carbonitrile;tris(2,2,2-trifluoroacetic acid)
CID 155824721
(3S,5S)-9-(furan-3-ylmethyl)-N-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 97371677
6-[[(3R,5S)-7-(cyclopropylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]amino]pyridine-2-carbonitrile
CID 97371072
6-[[9-(5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-yl]amino]pyridine-2-carbonitrile
CID 134075017
(3R,5S)-7-(furan-3-ylmethyl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98813283
6-[[7-(pyridin-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]amino]pyridine-2-carbonitrile;tris(2,2,2-trifluoroacetic acid)
CID 155838095
6-[[(3R,5S)-7-propylsulfonyl-1-oxa-7-azaspiro[4.4]nonan-3-yl]amino]pyridine-2-carbonitrile
CID 98777988
(3R,5R)-N-(3-fluorophenyl)-7-(furan-3-ylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97370968
N-(5-fluoropyrimidin-2-yl)-9-(furan-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid
CID 171696764
(3S,5S)-9-benzyl-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 124520719
(3R)-8-(furan-3-ylmethyl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97488249

Frequently Asked Questions

What is the IUPAC name of 6-[[9-(furan-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[[9-(furan-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]amino]pyridine-2-carbonitrile (CID 131652029) is 6-[[9-(furan-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[9-(furan-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[9-(furan-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]amino]pyridine-2-carbonitrile is N#Cc1cccc(NC2COC3(CCCN(Cc4ccoc4)C3)C2)n1.
What is the InChIKey of 6-[[9-(furan-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]amino]pyridine-2-carbonitrile?
The InChIKey is MLLXNQVDFDOQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c20-10-16-3-1-4-18(21-16)22-17-9-19(25-13-17)6-2-7-23(14-19)11-15-5-8-24-12-15/h1,3-5,8,12,17H,2,6-7,9,11,13-14H2,(H,21,22).
What are the key properties of 6-[[9-(furan-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]amino]pyridine-2-carbonitrile?
6-[[9-(furan-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]amino]pyridine-2-carbonitrile has a molecular weight of 338.41 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[9-(furan-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 131652029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).