N-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenyl-3-pyridinyl]-2-[4-(2-oxopropyl)cyclohexyl]acetamide

C31H35N3O3 — CID 149084920

IUPACN-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenyl-3-pyridinyl]-2-[4-(2-oxopropyl)cyclohexyl]acetamide
SMILESCC(=O)CC1CCC(CC(=O)Nc2cnc(-c3ccc(C4(N)COC4)cc3)c(-c3ccccc3)c2)CC1
InChIInChI=1S/C31H35N3O3/c1-21(35)15-22-7-9-23(10-8-22)16-29(36)34-27-17-28(24-5-3-2-4-6-24)30(33-18-27)25-11-13-26(14-12-25)31(32)19-37-20-31/h2-6,11-14,17-18,22-23H,7-10,15-16,19-20,32H2,1H3,(H,34,36)
InChIKeyQRBGFNOQHXCXJM-UHFFFAOYSA-N
MW497.64 g/mol
LogP5.71
Rot. Bonds8

About N-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenyl-3-pyridinyl]-2-[4-(2-oxopropyl)cyclohexyl]acetamide

N-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenyl-3-pyridinyl]-2-[4-(2-oxopropyl)cyclohexyl]acetamide (PubChem CID 149084920) has the molecular formula C31H35N3O3 and a molecular weight of 497.64 g/mol. Its IUPAC name is N-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenyl-3-pyridinyl]-2-[4-(2-oxopropyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenyl-3-pyridinyl]-2-[4-(2-oxopropyl)cyclohexyl]acetamide
PubChem CID149084920
Molecular FormulaC31H35N3O3
Molecular Weight497.64 g/mol
Exact Mass497.27
IUPAC NameN-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenyl-3-pyridinyl]-2-[4-(2-oxopropyl)cyclohexyl]acetamide
SMILESCC(=O)CC1CCC(CC(=O)Nc2cnc(-c3ccc(C4(N)COC4)cc3)c(-c3ccccc3)c2)CC1
InChIInChI=1S/C31H35N3O3/c1-21(35)15-22-7-9-23(10-8-22)16-29(36)34-27-17-28(24-5-3-2-4-6-24)30(33-18-27)25-11-13-26(14-12-25)31(32)19-37-20-31/h2-6,11-14,17-18,22-23H,7-10,15-16,19-20,32H2,1H3,(H,34,36)
InChIKeyQRBGFNOQHXCXJM-UHFFFAOYSA-N
XLogP5.71
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.64
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenyl-3-pyridinyl]-2-[4-(2-oxopropyl)cyclohexyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenyl-3-pyridinyl]-2-[4-(2-oxopropyl)cyclohexyl]acetamide?
The IUPAC name of N-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenyl-3-pyridinyl]-2-[4-(2-oxopropyl)cyclohexyl]acetamide (CID 149084920) is N-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenyl-3-pyridinyl]-2-[4-(2-oxopropyl)cyclohexyl]acetamide.
What is the SMILES notation for N-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenyl-3-pyridinyl]-2-[4-(2-oxopropyl)cyclohexyl]acetamide?
The canonical SMILES for N-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenyl-3-pyridinyl]-2-[4-(2-oxopropyl)cyclohexyl]acetamide is CC(=O)CC1CCC(CC(=O)Nc2cnc(-c3ccc(C4(N)COC4)cc3)c(-c3ccccc3)c2)CC1.
What is the InChIKey of N-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenyl-3-pyridinyl]-2-[4-(2-oxopropyl)cyclohexyl]acetamide?
The InChIKey is QRBGFNOQHXCXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O3/c1-21(35)15-22-7-9-23(10-8-22)16-29(36)34-27-17-28(24-5-3-2-4-6-24)30(33-18-27)25-11-13-26(14-12-25)31(32)19-37-20-31/h2-6,11-14,17-18,22-23H,7-10,15-16,19-20,32H2,1H3,(H,34,36).
What are the key properties of N-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenyl-3-pyridinyl]-2-[4-(2-oxopropyl)cyclohexyl]acetamide?
N-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenyl-3-pyridinyl]-2-[4-(2-oxopropyl)cyclohexyl]acetamide has a molecular weight of 497.64 g/mol, XLogP of 5.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenyl-3-pyridinyl]-2-[4-(2-oxopropyl)cyclohexyl]acetamide is sourced from PubChem (CID 149084920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).