N-[4-[2-(4-acetamidopiperidin-1-yl)pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide

C33H35FN6O3 — CID 59553103

IUPACN-[4-[2-(4-acetamidopiperidin-1-yl)pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide
SMILESCC(=O)NC1CCN(c2nccc(Oc3ccc(NC(=O)c4cc(F)cc(N5CCCCC5)c4)c4ccccc34)n2)CC1
InChIInChI=1S/C33H35FN6O3/c1-22(41)36-25-12-17-40(18-13-25)33-35-14-11-31(38-33)43-30-10-9-29(27-7-3-4-8-28(27)30)37-32(42)23-19-24(34)21-26(20-23)39-15-5-2-6-16-39/h3-4,7-11,14,19-21,25H,2,5-6,12-13,15-18H2,1H3,(H,36,41)(H,37,42)
InChIKeyRBBSZAFKIDGHDT-UHFFFAOYSA-N
MW582.68 g/mol
LogP5.91
Rot. Bonds7

About N-[4-[2-(4-acetamidopiperidin-1-yl)pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide

N-[4-[2-(4-acetamidopiperidin-1-yl)pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide (PubChem CID 59553103) has the molecular formula C33H35FN6O3 and a molecular weight of 582.68 g/mol. Its IUPAC name is N-[4-[2-(4-acetamidopiperidin-1-yl)pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[4-[2-(4-acetamidopiperidin-1-yl)pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide
PubChem CID59553103
Molecular FormulaC33H35FN6O3
Molecular Weight582.68 g/mol
Exact Mass582.28
IUPAC NameN-[4-[2-(4-acetamidopiperidin-1-yl)pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide
SMILESCC(=O)NC1CCN(c2nccc(Oc3ccc(NC(=O)c4cc(F)cc(N5CCCCC5)c4)c4ccccc34)n2)CC1
InChIInChI=1S/C33H35FN6O3/c1-22(41)36-25-12-17-40(18-13-25)33-35-14-11-31(38-33)43-30-10-9-29(27-7-3-4-8-28(27)30)37-32(42)23-19-24(34)21-26(20-23)39-15-5-2-6-16-39/h3-4,7-11,14,19-21,25H,2,5-6,12-13,15-18H2,1H3,(H,36,41)(H,37,42)
InChIKeyRBBSZAFKIDGHDT-UHFFFAOYSA-N
XLogP5.91
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.68
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-(4-acetamidopiperidin-1-yl)pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 4-[4-[4-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]naphthalen-1-yl]oxypyrimidin-2-yl]piperazine-1-carboxylate
CID 59553386
3-fluoro-N-[4-(2-methylsulfanylpyrimidin-4-yl)oxynaphthalen-1-yl]-5-pyrrolidin-1-ylbenzamide
CID 59553205
tert-butyl 4-[4-[4-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]naphthalen-1-yl]oxypyrimidin-2-yl]piperazine-1-carboxylate
CID 59553114
N-[4-[2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide
CID 59660578
carbon dioxide;N-[4-[2-[(1-ethylpiperidin-4-yl)amino]pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide
CID 159743176
3-fluoro-N-[4-[2-[methyl(prop-2-ynyl)amino]pyrimidin-4-yl]oxynaphthalen-1-yl]-5-piperidin-1-ylbenzamide
CID 59553122
3-fluoro-5-piperidin-1-yl-N-[4-[2-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]benzamide
CID 59553272
ethyl 4-[4-[4-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]naphthalen-1-yl]oxypyrimidin-2-yl]piperazine-1-carboxylate
CID 59553265
3-fluoro-N-[4-[2-[[(2S)-oxolan-2-yl]methylamino]pyrimidin-4-yl]oxynaphthalen-1-yl]-5-piperidin-1-ylbenzamide
CID 59614465
3-fluoro-N-[4-(2-methylsulfonylpyrimidin-4-yl)oxynaphthalen-1-yl]-5-morpholin-4-ylbenzamide
CID 59553095
3-fluoro-N-[4-[2-(2-methoxyethylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]-5-morpholin-4-ylbenzamide
CID 59553354
4-[2-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]oxy-N-[1-(3-fluoro-5-morpholin-4-ylphenyl)ethenyl]naphthalen-1-amine
CID 143171165

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-acetamidopiperidin-1-yl)pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide?
The IUPAC name of N-[4-[2-(4-acetamidopiperidin-1-yl)pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide (CID 59553103) is N-[4-[2-(4-acetamidopiperidin-1-yl)pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[4-[2-(4-acetamidopiperidin-1-yl)pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide?
The canonical SMILES for N-[4-[2-(4-acetamidopiperidin-1-yl)pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide is CC(=O)NC1CCN(c2nccc(Oc3ccc(NC(=O)c4cc(F)cc(N5CCCCC5)c4)c4ccccc34)n2)CC1.
What is the InChIKey of N-[4-[2-(4-acetamidopiperidin-1-yl)pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide?
The InChIKey is RBBSZAFKIDGHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35FN6O3/c1-22(41)36-25-12-17-40(18-13-25)33-35-14-11-31(38-33)43-30-10-9-29(27-7-3-4-8-28(27)30)37-32(42)23-19-24(34)21-26(20-23)39-15-5-2-6-16-39/h3-4,7-11,14,19-21,25H,2,5-6,12-13,15-18H2,1H3,(H,36,41)(H,37,42).
What are the key properties of N-[4-[2-(4-acetamidopiperidin-1-yl)pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide?
N-[4-[2-(4-acetamidopiperidin-1-yl)pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide has a molecular weight of 582.68 g/mol, XLogP of 5.91, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-acetamidopiperidin-1-yl)pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide is sourced from PubChem (CID 59553103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).