3-amino-1-[1-(oxan-4-ylmethyl)pyrazol-3-yl]pyridin-2-one

C14H18N4O2 — CID 166023531

IUPAC3-amino-1-[1-(oxan-4-ylmethyl)pyrazol-3-yl]pyridin-2-one
SMILESNc1cccn(-c2ccn(CC3CCOCC3)n2)c1=O
InChIInChI=1S/C14H18N4O2/c15-12-2-1-6-18(14(12)19)13-3-7-17(16-13)10-11-4-8-20-9-5-11/h1-3,6-7,11H,4-5,8-10,15H2
InChIKeyVDMCCHZODIDFSD-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.04
Rot. Bonds3

About 3-amino-1-[1-(oxan-4-ylmethyl)pyrazol-3-yl]pyridin-2-one

3-amino-1-[1-(oxan-4-ylmethyl)pyrazol-3-yl]pyridin-2-one (PubChem CID 166023531) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-amino-1-[1-(oxan-4-ylmethyl)pyrazol-3-yl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[1-(oxan-4-ylmethyl)pyrazol-3-yl]pyridin-2-one
PubChem CID166023531
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-amino-1-[1-(oxan-4-ylmethyl)pyrazol-3-yl]pyridin-2-one
SMILESNc1cccn(-c2ccn(CC3CCOCC3)n2)c1=O
InChIInChI=1S/C14H18N4O2/c15-12-2-1-6-18(14(12)19)13-3-7-17(16-13)10-11-4-8-20-9-5-11/h1-3,6-7,11H,4-5,8-10,15H2
InChIKeyVDMCCHZODIDFSD-UHFFFAOYSA-N
XLogP1.04
TPSA75.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[1-(oxan-4-ylmethyl)pyrazol-3-yl]pyridin-2-one?
The IUPAC name of 3-amino-1-[1-(oxan-4-ylmethyl)pyrazol-3-yl]pyridin-2-one (CID 166023531) is 3-amino-1-[1-(oxan-4-ylmethyl)pyrazol-3-yl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[1-(oxan-4-ylmethyl)pyrazol-3-yl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[1-(oxan-4-ylmethyl)pyrazol-3-yl]pyridin-2-one is Nc1cccn(-c2ccn(CC3CCOCC3)n2)c1=O.
What is the InChIKey of 3-amino-1-[1-(oxan-4-ylmethyl)pyrazol-3-yl]pyridin-2-one?
The InChIKey is VDMCCHZODIDFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c15-12-2-1-6-18(14(12)19)13-3-7-17(16-13)10-11-4-8-20-9-5-11/h1-3,6-7,11H,4-5,8-10,15H2.
What are the key properties of 3-amino-1-[1-(oxan-4-ylmethyl)pyrazol-3-yl]pyridin-2-one?
3-amino-1-[1-(oxan-4-ylmethyl)pyrazol-3-yl]pyridin-2-one has a molecular weight of 274.32 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[1-(oxan-4-ylmethyl)pyrazol-3-yl]pyridin-2-one is sourced from PubChem (CID 166023531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).