6-[[(3R,5S)-7-(cyclopropylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]amino]pyridine-2-carbonitrile

C17H22N4O — CID 97371072

IUPAC6-[[(3R,5S)-7-(cyclopropylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]amino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N[C@H]2CO[C@@]3(CCN(CC4CC4)C3)C2)n1
InChIInChI=1S/C17H22N4O/c18-9-14-2-1-3-16(19-14)20-15-8-17(22-11-15)6-7-21(12-17)10-13-4-5-13/h1-3,13,15H,4-8,10-12H2,(H,19,20)/t15-,17+/m1/s1
InChIKeyNERRUHJNKBRYPI-WBVHZDCISA-N
MW298.39 g/mol
LogP2.01
Rot. Bonds4

About 6-[[(3R,5S)-7-(cyclopropylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]amino]pyridine-2-carbonitrile

6-[[(3R,5S)-7-(cyclopropylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]amino]pyridine-2-carbonitrile (PubChem CID 97371072) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 6-[[(3R,5S)-7-(cyclopropylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[(3R,5S)-7-(cyclopropylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]amino]pyridine-2-carbonitrile
PubChem CID97371072
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name6-[[(3R,5S)-7-(cyclopropylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]amino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N[C@H]2CO[C@@]3(CCN(CC4CC4)C3)C2)n1
InChIInChI=1S/C17H22N4O/c18-9-14-2-1-3-16(19-14)20-15-8-17(22-11-15)6-7-21(12-17)10-13-4-5-13/h1-3,13,15H,4-8,10-12H2,(H,19,20)/t15-,17+/m1/s1
InChIKeyNERRUHJNKBRYPI-WBVHZDCISA-N
XLogP2.01
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[[(3R,5S)-7-(cyclopropylmethyl)-1-oxa-7-azaspiro[4.4]nonan-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-(furan-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]amino]pyridine-2-carbonitrile
CID 131652029
6-[[(3R,5S)-7-propylsulfonyl-1-oxa-7-azaspiro[4.4]nonan-3-yl]amino]pyridine-2-carbonitrile
CID 98777988
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-[[9-(5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-yl]amino]pyridine-2-carbonitrile
CID 134075017
(5S,9S)-2-(cyclopropylmethyl)-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 124910174
(5R,9R)-2-(cyclopropylmethyl)-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 97477327
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
8-(oxolan-3-ylmethyl)-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 134078983
6-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carbonitrile
CID 113336612
6-(oxolan-3-ylamino)pyridine-2-carbonitrile
CID 80713825
6-[(1-prop-2-enylpiperidin-4-yl)amino]pyridine-2-carbonitrile
CID 133320035

Frequently Asked Questions

What is the IUPAC name of 6-[[(3R,5S)-7-(cyclopropylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[[(3R,5S)-7-(cyclopropylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]amino]pyridine-2-carbonitrile (CID 97371072) is 6-[[(3R,5S)-7-(cyclopropylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[(3R,5S)-7-(cyclopropylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[(3R,5S)-7-(cyclopropylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]amino]pyridine-2-carbonitrile is N#Cc1cccc(N[C@H]2CO[C@@]3(CCN(CC4CC4)C3)C2)n1.
What is the InChIKey of 6-[[(3R,5S)-7-(cyclopropylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]amino]pyridine-2-carbonitrile?
The InChIKey is NERRUHJNKBRYPI-WBVHZDCISA-N. The full InChI is InChI=1S/C17H22N4O/c18-9-14-2-1-3-16(19-14)20-15-8-17(22-11-15)6-7-21(12-17)10-13-4-5-13/h1-3,13,15H,4-8,10-12H2,(H,19,20)/t15-,17+/m1/s1.
What are the key properties of 6-[[(3R,5S)-7-(cyclopropylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]amino]pyridine-2-carbonitrile?
6-[[(3R,5S)-7-(cyclopropylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]amino]pyridine-2-carbonitrile has a molecular weight of 298.39 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3R,5S)-7-(cyclopropylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 97371072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).