N-[2-(azetidin-3-yloxy)-4-pyridinyl]-2-methylbenzamide

C16H17N3O2 — CID 167912431

IUPACN-[2-(azetidin-3-yloxy)-4-pyridinyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccnc(OC2CNC2)c1
InChIInChI=1S/C16H17N3O2/c1-11-4-2-3-5-14(11)16(20)19-12-6-7-18-15(8-12)21-13-9-17-10-13/h2-8,13,17H,9-10H2,1H3,(H,18,19,20)
InChIKeyQWGMGDHUULZEDL-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.99
Rot. Bonds4

About N-[2-(azetidin-3-yloxy)-4-pyridinyl]-2-methylbenzamide

N-[2-(azetidin-3-yloxy)-4-pyridinyl]-2-methylbenzamide (PubChem CID 167912431) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[2-(azetidin-3-yloxy)-4-pyridinyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(azetidin-3-yloxy)-4-pyridinyl]-2-methylbenzamide
PubChem CID167912431
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[2-(azetidin-3-yloxy)-4-pyridinyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccnc(OC2CNC2)c1
InChIInChI=1S/C16H17N3O2/c1-11-4-2-3-5-14(11)16(20)19-12-6-7-18-15(8-12)21-13-9-17-10-13/h2-8,13,17H,9-10H2,1H3,(H,18,19,20)
InChIKeyQWGMGDHUULZEDL-UHFFFAOYSA-N
XLogP1.99
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-3-yloxy)-4-pyridinyl]-2-methylbenzamide?
The IUPAC name of N-[2-(azetidin-3-yloxy)-4-pyridinyl]-2-methylbenzamide (CID 167912431) is N-[2-(azetidin-3-yloxy)-4-pyridinyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(azetidin-3-yloxy)-4-pyridinyl]-2-methylbenzamide?
The canonical SMILES for N-[2-(azetidin-3-yloxy)-4-pyridinyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccnc(OC2CNC2)c1.
What is the InChIKey of N-[2-(azetidin-3-yloxy)-4-pyridinyl]-2-methylbenzamide?
The InChIKey is QWGMGDHUULZEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-4-2-3-5-14(11)16(20)19-12-6-7-18-15(8-12)21-13-9-17-10-13/h2-8,13,17H,9-10H2,1H3,(H,18,19,20).
What are the key properties of N-[2-(azetidin-3-yloxy)-4-pyridinyl]-2-methylbenzamide?
N-[2-(azetidin-3-yloxy)-4-pyridinyl]-2-methylbenzamide has a molecular weight of 283.33 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-3-yloxy)-4-pyridinyl]-2-methylbenzamide is sourced from PubChem (CID 167912431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).