N-[3-oxo-1-phenyl-3-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]benzamide

C29H27N3O3 — CID 55707958

IUPACN-[3-oxo-1-phenyl-3-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]benzamide
SMILESO=C(CC(NC(=O)c1ccccc1)c1ccccc1)NCc1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C29H27N3O3/c33-28(31-20-22-13-15-26(16-14-22)35-21-23-8-7-17-30-19-23)18-27(24-9-3-1-4-10-24)32-29(34)25-11-5-2-6-12-25/h1-17,19,27H,18,20-21H2,(H,31,33)(H,32,34)
InChIKeyUMBWEQBJKJWVFV-UHFFFAOYSA-N
MW465.55 g/mol
LogP4.84
Rot. Bonds10

About N-[3-oxo-1-phenyl-3-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]benzamide

N-[3-oxo-1-phenyl-3-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]benzamide (PubChem CID 55707958) has the molecular formula C29H27N3O3 and a molecular weight of 465.55 g/mol. Its IUPAC name is N-[3-oxo-1-phenyl-3-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]benzamide.

Molecular Properties

Compound NameN-[3-oxo-1-phenyl-3-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]benzamide
PubChem CID55707958
Molecular FormulaC29H27N3O3
Molecular Weight465.55 g/mol
Exact Mass465.21
IUPAC NameN-[3-oxo-1-phenyl-3-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]benzamide
SMILESO=C(CC(NC(=O)c1ccccc1)c1ccccc1)NCc1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C29H27N3O3/c33-28(31-20-22-13-15-26(16-14-22)35-21-23-8-7-17-30-19-23)18-27(24-9-3-1-4-10-24)32-29(34)25-11-5-2-6-12-25/h1-17,19,27H,18,20-21H2,(H,31,33)(H,32,34)
InChIKeyUMBWEQBJKJWVFV-UHFFFAOYSA-N
XLogP4.84
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-oxo-1-phenyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylamino]propyl]benzamide
CID 55693376
4-phenyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 46476162
N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide
CID 23130542
4-tert-butyl-N-[1-oxo-1-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-2-yl]benzamide
CID 46469562
N-[2-(diethylamino)-2-phenylethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 43060066
4-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide
CID 39952477
3-acetamido-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 78805890
3,3-diphenyl-N-(pyridin-3-ylmethyl)propanamide
CID 690534
3,4,5-trimethoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708070
N-(2-anilino-2-oxoethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 166190877
3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 45194858
N-[4-(pyridin-3-ylmethoxy)phenyl]sulfonylbenzamide
CID 144935099

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-1-phenyl-3-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]benzamide?
The IUPAC name of N-[3-oxo-1-phenyl-3-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]benzamide (CID 55707958) is N-[3-oxo-1-phenyl-3-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]benzamide.
What is the SMILES notation for N-[3-oxo-1-phenyl-3-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]benzamide?
The canonical SMILES for N-[3-oxo-1-phenyl-3-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]benzamide is O=C(CC(NC(=O)c1ccccc1)c1ccccc1)NCc1ccc(OCc2cccnc2)cc1.
What is the InChIKey of N-[3-oxo-1-phenyl-3-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]benzamide?
The InChIKey is UMBWEQBJKJWVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O3/c33-28(31-20-22-13-15-26(16-14-22)35-21-23-8-7-17-30-19-23)18-27(24-9-3-1-4-10-24)32-29(34)25-11-5-2-6-12-25/h1-17,19,27H,18,20-21H2,(H,31,33)(H,32,34).
What are the key properties of N-[3-oxo-1-phenyl-3-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]benzamide?
N-[3-oxo-1-phenyl-3-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]benzamide has a molecular weight of 465.55 g/mol, XLogP of 4.84, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-1-phenyl-3-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]benzamide is sourced from PubChem (CID 55707958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).