4-[6-[(2R)-pyrrolidin-2-yl]-2-pyridinyl]-1,4-oxazepane

C14H21N3O — CID 95846671

IUPAC4-[6-[(2R)-pyrrolidin-2-yl]-2-pyridinyl]-1,4-oxazepane
SMILESc1cc([C@H]2CCCN2)nc(N2CCCOCC2)c1
InChIInChI=1S/C14H21N3O/c1-4-13(12-5-2-7-15-12)16-14(6-1)17-8-3-10-18-11-9-17/h1,4,6,12,15H,2-3,5,7-11H2/t12-/m1/s1
InChIKeyAWDSQQQTBXJKRJ-GFCCVEGCSA-N
MW247.34 g/mol
LogP1.73
Rot. Bonds2

About 4-[6-[(2R)-pyrrolidin-2-yl]-2-pyridinyl]-1,4-oxazepane

4-[6-[(2R)-pyrrolidin-2-yl]-2-pyridinyl]-1,4-oxazepane (PubChem CID 95846671) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-[6-[(2R)-pyrrolidin-2-yl]-2-pyridinyl]-1,4-oxazepane.

Molecular Properties

Compound Name4-[6-[(2R)-pyrrolidin-2-yl]-2-pyridinyl]-1,4-oxazepane
PubChem CID95846671
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-[6-[(2R)-pyrrolidin-2-yl]-2-pyridinyl]-1,4-oxazepane
SMILESc1cc([C@H]2CCCN2)nc(N2CCCOCC2)c1
InChIInChI=1S/C14H21N3O/c1-4-13(12-5-2-7-15-12)16-14(6-1)17-8-3-10-18-11-9-17/h1,4,6,12,15H,2-3,5,7-11H2/t12-/m1/s1
InChIKeyAWDSQQQTBXJKRJ-GFCCVEGCSA-N
XLogP1.73
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-pyrrolidin-2-ylpyrimidin-2-yl)morpholine
CID 75485556
1-[4-(6-pyrrolidin-2-yl-2-pyridinyl)piperazin-1-yl]ethanone
CID 110271393
4-[6-(2H-azirin-2-yl)-2-pyridinyl]morpholine
CID 155227765
2-imidazol-1-yl-6-[(2S)-pyrrolidin-2-yl]pyridine
CID 95816194
N-(oxan-4-yl)-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 95846768
4-[2-[(2R)-pyrrolidin-2-yl]phenyl]morpholine
CID 96807241
6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 55274090
2-fluoro-6-[(2R)-pyrrolidin-2-yl]pyridine
CID 131118553
4-(2-chloropyrimidin-4-yl)-1,4-oxazepane
CID 62968346
6-[(2R)-pyrrolidin-2-yl]pyridine-2-carbaldehyde
CID 87404647
(1R,9R)-1,11,11-trimethyl-N-(3-methyl-4-morpholin-4-ylphenyl)-8-[6-[(2S)-pyrrolidin-2-yl]-2-pyridinyl]-12-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-5-amine
CID 171624026
4-quinoxalin-2-yl-1,4-oxazepane
CID 134160732

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(2R)-pyrrolidin-2-yl]-2-pyridinyl]-1,4-oxazepane?
The IUPAC name of 4-[6-[(2R)-pyrrolidin-2-yl]-2-pyridinyl]-1,4-oxazepane (CID 95846671) is 4-[6-[(2R)-pyrrolidin-2-yl]-2-pyridinyl]-1,4-oxazepane.
What is the SMILES notation for 4-[6-[(2R)-pyrrolidin-2-yl]-2-pyridinyl]-1,4-oxazepane?
The canonical SMILES for 4-[6-[(2R)-pyrrolidin-2-yl]-2-pyridinyl]-1,4-oxazepane is c1cc([C@H]2CCCN2)nc(N2CCCOCC2)c1.
What is the InChIKey of 4-[6-[(2R)-pyrrolidin-2-yl]-2-pyridinyl]-1,4-oxazepane?
The InChIKey is AWDSQQQTBXJKRJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21N3O/c1-4-13(12-5-2-7-15-12)16-14(6-1)17-8-3-10-18-11-9-17/h1,4,6,12,15H,2-3,5,7-11H2/t12-/m1/s1.
What are the key properties of 4-[6-[(2R)-pyrrolidin-2-yl]-2-pyridinyl]-1,4-oxazepane?
4-[6-[(2R)-pyrrolidin-2-yl]-2-pyridinyl]-1,4-oxazepane has a molecular weight of 247.34 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(2R)-pyrrolidin-2-yl]-2-pyridinyl]-1,4-oxazepane is sourced from PubChem (CID 95846671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).