3-[(5-chloro-2-pyridinyl)amino]-1-(oxan-4-yl)pyrrolidin-2-one

C14H18ClN3O2 — CID 86769519

IUPAC3-[(5-chloro-2-pyridinyl)amino]-1-(oxan-4-yl)pyrrolidin-2-one
SMILESO=C1C(Nc2ccc(Cl)cn2)CCN1C1CCOCC1
InChIInChI=1S/C14H18ClN3O2/c15-10-1-2-13(16-9-10)17-12-3-6-18(14(12)19)11-4-7-20-8-5-11/h1-2,9,11-12H,3-8H2,(H,16,17)
InChIKeyZNCOMAVHGKIUIG-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.93
Rot. Bonds3

About 3-[(5-chloro-2-pyridinyl)amino]-1-(oxan-4-yl)pyrrolidin-2-one

3-[(5-chloro-2-pyridinyl)amino]-1-(oxan-4-yl)pyrrolidin-2-one (PubChem CID 86769519) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 3-[(5-chloro-2-pyridinyl)amino]-1-(oxan-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(5-chloro-2-pyridinyl)amino]-1-(oxan-4-yl)pyrrolidin-2-one
PubChem CID86769519
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name3-[(5-chloro-2-pyridinyl)amino]-1-(oxan-4-yl)pyrrolidin-2-one
SMILESO=C1C(Nc2ccc(Cl)cn2)CCN1C1CCOCC1
InChIInChI=1S/C14H18ClN3O2/c15-10-1-2-13(16-9-10)17-12-3-6-18(14(12)19)11-4-7-20-8-5-11/h1-2,9,11-12H,3-8H2,(H,16,17)
InChIKeyZNCOMAVHGKIUIG-UHFFFAOYSA-N
XLogP1.93
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-pyridinyl)amino]-1-(oxan-4-yl)pyrrolidin-2-one?
The IUPAC name of 3-[(5-chloro-2-pyridinyl)amino]-1-(oxan-4-yl)pyrrolidin-2-one (CID 86769519) is 3-[(5-chloro-2-pyridinyl)amino]-1-(oxan-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-[(5-chloro-2-pyridinyl)amino]-1-(oxan-4-yl)pyrrolidin-2-one?
The canonical SMILES for 3-[(5-chloro-2-pyridinyl)amino]-1-(oxan-4-yl)pyrrolidin-2-one is O=C1C(Nc2ccc(Cl)cn2)CCN1C1CCOCC1.
What is the InChIKey of 3-[(5-chloro-2-pyridinyl)amino]-1-(oxan-4-yl)pyrrolidin-2-one?
The InChIKey is ZNCOMAVHGKIUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c15-10-1-2-13(16-9-10)17-12-3-6-18(14(12)19)11-4-7-20-8-5-11/h1-2,9,11-12H,3-8H2,(H,16,17).
What are the key properties of 3-[(5-chloro-2-pyridinyl)amino]-1-(oxan-4-yl)pyrrolidin-2-one?
3-[(5-chloro-2-pyridinyl)amino]-1-(oxan-4-yl)pyrrolidin-2-one has a molecular weight of 295.77 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-pyridinyl)amino]-1-(oxan-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 86769519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).