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

C30H34N4O3 — CID 121439163

IUPACN-[4-[acetyl-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenyl-3-pyridinyl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(N(C(C)=O)c2cnc(-c3ccc(C4(N)COC4)cc3)c(-c3ccccc3)c2)CC1
InChIInChI=1S/C30H34N4O3/c1-20(35)33-25-12-14-26(15-13-25)34(21(2)36)27-16-28(22-6-4-3-5-7-22)29(32-17-27)23-8-10-24(11-9-23)30(31)18-37-19-30/h3-11,16-17,25-26H,12-15,18-19,31H2,1-2H3,(H,33,35)
InChIKeyHNQLVRJYOHACJT-UHFFFAOYSA-N
MW498.63 g/mol
LogP4.40
Rot. Bonds6

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

N-[4-[acetyl-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenyl-3-pyridinyl]amino]cyclohexyl]acetamide (PubChem CID 121439163) has the molecular formula C30H34N4O3 and a molecular weight of 498.63 g/mol. Its IUPAC name is N-[4-[acetyl-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenyl-3-pyridinyl]amino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[acetyl-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenyl-3-pyridinyl]amino]cyclohexyl]acetamide
PubChem CID121439163
Molecular FormulaC30H34N4O3
Molecular Weight498.63 g/mol
Exact Mass498.26
IUPAC NameN-[4-[acetyl-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenyl-3-pyridinyl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(N(C(C)=O)c2cnc(-c3ccc(C4(N)COC4)cc3)c(-c3ccccc3)c2)CC1
InChIInChI=1S/C30H34N4O3/c1-20(35)33-25-12-14-26(15-13-25)34(21(2)36)27-16-28(22-6-4-3-5-7-22)29(32-17-27)23-8-10-24(11-9-23)30(31)18-37-19-30/h3-11,16-17,25-26H,12-15,18-19,31H2,1-2H3,(H,33,35)
InChIKeyHNQLVRJYOHACJT-UHFFFAOYSA-N
XLogP4.40
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[acetyl-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenyl-3-pyridinyl]amino]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-[4-[acetyl-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenyl-3-pyridinyl]amino]cyclohexyl]acetamide?
The IUPAC name of N-[4-[acetyl-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenyl-3-pyridinyl]amino]cyclohexyl]acetamide (CID 121439163) is N-[4-[acetyl-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenyl-3-pyridinyl]amino]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[acetyl-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenyl-3-pyridinyl]amino]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[acetyl-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenyl-3-pyridinyl]amino]cyclohexyl]acetamide is CC(=O)NC1CCC(N(C(C)=O)c2cnc(-c3ccc(C4(N)COC4)cc3)c(-c3ccccc3)c2)CC1.
What is the InChIKey of N-[4-[acetyl-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenyl-3-pyridinyl]amino]cyclohexyl]acetamide?
The InChIKey is HNQLVRJYOHACJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O3/c1-20(35)33-25-12-14-26(15-13-25)34(21(2)36)27-16-28(22-6-4-3-5-7-22)29(32-17-27)23-8-10-24(11-9-23)30(31)18-37-19-30/h3-11,16-17,25-26H,12-15,18-19,31H2,1-2H3,(H,33,35).
What are the key properties of N-[4-[acetyl-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenyl-3-pyridinyl]amino]cyclohexyl]acetamide?
N-[4-[acetyl-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenyl-3-pyridinyl]amino]cyclohexyl]acetamide has a molecular weight of 498.63 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenyl-3-pyridinyl]amino]cyclohexyl]acetamide is sourced from PubChem (CID 121439163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).