6-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile

C15H20N4O — CID 166602960

IUPAC6-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCCN(C3CCOC3)CC2)nc1
InChIInChI=1S/C15H20N4O/c16-10-13-2-3-15(17-11-13)19-6-1-5-18(7-8-19)14-4-9-20-12-14/h2-3,11,14H,1,4-9,12H2
InChIKeyQOCYVBVPLMXFCQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.25
Rot. Bonds2

About 6-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile

6-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile (PubChem CID 166602960) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 6-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile
PubChem CID166602960
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name6-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCCN(C3CCOC3)CC2)nc1
InChIInChI=1S/C15H20N4O/c16-10-13-2-3-15(17-11-13)19-6-1-5-18(7-8-19)14-4-9-20-12-14/h2-3,11,14H,1,4-9,12H2
InChIKeyQOCYVBVPLMXFCQ-UHFFFAOYSA-N
XLogP1.25
TPSA52.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-morpholin-4-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 172899261
fluoromethane;6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 169148538
6-[4-[[(3R)-oxan-3-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 124752860
1-(oxan-3-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
CID 138997912
6-(3-morpholin-4-ylazetidin-1-yl)pyridine-3-carbonitrile
CID 175647980
6-[4-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carbonitrile
CID 126428881
6-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 62045126
1-(3,5-dichloro-2-pyridinyl)-4-(oxolan-3-yl)-1,4-diazepane
CID 166602989
6-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 95624717
6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridine-3-carbonitrile
CID 126891739
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 43430337
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342

Frequently Asked Questions

What is the IUPAC name of 6-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile (CID 166602960) is 6-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCCN(C3CCOC3)CC2)nc1.
What is the InChIKey of 6-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile?
The InChIKey is QOCYVBVPLMXFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c16-10-13-2-3-15(17-11-13)19-6-1-5-18(7-8-19)14-4-9-20-12-14/h2-3,11,14H,1,4-9,12H2.
What are the key properties of 6-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile?
6-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile has a molecular weight of 272.35 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 166602960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).