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

C23H21N5O — CID 11589054

IUPACN-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-cyano-2-pyridinyl]benzamide
SMILESN#Cc1cc(CN2CCC2)cnc1-c1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C23H21N5O/c24-13-19-12-16(15-28-10-3-11-28)14-26-22(19)17-6-8-18(9-7-17)23(29)27-21-5-2-1-4-20(21)25/h1-2,4-9,12,14H,3,10-11,15,25H2,(H,27,29)
InChIKeyMGOAWIRTPOOEAO-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.66
Rot. Bonds5

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

N-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-cyano-2-pyridinyl]benzamide (PubChem CID 11589054) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-cyano-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-cyano-2-pyridinyl]benzamide
PubChem CID11589054
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC NameN-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-cyano-2-pyridinyl]benzamide
SMILESN#Cc1cc(CN2CCC2)cnc1-c1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C23H21N5O/c24-13-19-12-16(15-28-10-3-11-28)14-26-22(19)17-6-8-18(9-7-17)23(29)27-21-5-2-1-4-20(21)25/h1-2,4-9,12,14H,3,10-11,15,25H2,(H,27,29)
InChIKeyMGOAWIRTPOOEAO-UHFFFAOYSA-N
XLogP3.66
TPSA95.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-cyano-2-pyridinyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-cyano-2-pyridinyl]benzamide (CID 11589054) is N-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-cyano-2-pyridinyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-cyano-2-pyridinyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-cyano-2-pyridinyl]benzamide is N#Cc1cc(CN2CCC2)cnc1-c1ccc(C(=O)Nc2ccccc2N)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-cyano-2-pyridinyl]benzamide?
The InChIKey is MGOAWIRTPOOEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c24-13-19-12-16(15-28-10-3-11-28)14-26-22(19)17-6-8-18(9-7-17)23(29)27-21-5-2-1-4-20(21)25/h1-2,4-9,12,14H,3,10-11,15,25H2,(H,27,29).
What are the key properties of N-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-cyano-2-pyridinyl]benzamide?
N-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-cyano-2-pyridinyl]benzamide has a molecular weight of 383.46 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-cyano-2-pyridinyl]benzamide is sourced from PubChem (CID 11589054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).