N-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-fluoro-2-pyridinyl]benzamide

C22H21FN4O — CID 11710573

IUPACN-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-fluoro-2-pyridinyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(-c2ncc(CN3CCC3)cc2F)cc1
InChIInChI=1S/C22H21FN4O/c23-18-12-15(14-27-10-3-11-27)13-25-21(18)16-6-8-17(9-7-16)22(28)26-20-5-2-1-4-19(20)24/h1-2,4-9,12-13H,3,10-11,14,24H2,(H,26,28)
InChIKeyXVTXDYYRTNAOLL-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.93
Rot. Bonds5

About N-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-fluoro-2-pyridinyl]benzamide

N-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-fluoro-2-pyridinyl]benzamide (PubChem CID 11710573) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-fluoro-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-fluoro-2-pyridinyl]benzamide
PubChem CID11710573
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC NameN-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-fluoro-2-pyridinyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(-c2ncc(CN3CCC3)cc2F)cc1
InChIInChI=1S/C22H21FN4O/c23-18-12-15(14-27-10-3-11-27)13-25-21(18)16-6-8-17(9-7-16)22(28)26-20-5-2-1-4-19(20)24/h1-2,4-9,12-13H,3,10-11,14,24H2,(H,26,28)
InChIKeyXVTXDYYRTNAOLL-UHFFFAOYSA-N
XLogP3.93
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-fluoro-2-pyridinyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-fluoro-2-pyridinyl]benzamide (CID 11710573) is N-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-fluoro-2-pyridinyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-fluoro-2-pyridinyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-fluoro-2-pyridinyl]benzamide is Nc1ccccc1NC(=O)c1ccc(-c2ncc(CN3CCC3)cc2F)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-fluoro-2-pyridinyl]benzamide?
The InChIKey is XVTXDYYRTNAOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c23-18-12-15(14-27-10-3-11-27)13-25-21(18)16-6-8-17(9-7-16)22(28)26-20-5-2-1-4-19(20)24/h1-2,4-9,12-13H,3,10-11,14,24H2,(H,26,28).
What are the key properties of N-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-fluoro-2-pyridinyl]benzamide?
N-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-fluoro-2-pyridinyl]benzamide has a molecular weight of 376.44 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-fluoro-2-pyridinyl]benzamide is sourced from PubChem (CID 11710573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).