N-[2-benzyl-3-(5-hydroxy-2-pyridinyl)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide

C30H29N3O3 — CID 5470926

IUPACN-[2-benzyl-3-(5-hydroxy-2-pyridinyl)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide
SMILESC[C@H](NC(=O)C(Cc1ccccc1)(Cc1ccc(O)cn1)NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H29N3O3/c1-22(24-13-7-3-8-14-24)32-29(36)30(19-23-11-5-2-6-12-23,20-26-17-18-27(34)21-31-26)33-28(35)25-15-9-4-10-16-25/h2-18,21-22,34H,19-20H2,1H3,(H,32,36)(H,33,35)/t22-,30?/m0/s1
InChIKeyUMEPVGVOLFLLID-VUUJKMBOSA-N
MW479.58 g/mol
LogP4.62
Rot. Bonds9

About N-[2-benzyl-3-(5-hydroxy-2-pyridinyl)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide

N-[2-benzyl-3-(5-hydroxy-2-pyridinyl)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide (PubChem CID 5470926) has the molecular formula C30H29N3O3 and a molecular weight of 479.58 g/mol. Its IUPAC name is N-[2-benzyl-3-(5-hydroxy-2-pyridinyl)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide.

Molecular Properties

Compound NameN-[2-benzyl-3-(5-hydroxy-2-pyridinyl)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide
PubChem CID5470926
Molecular FormulaC30H29N3O3
Molecular Weight479.58 g/mol
Exact Mass479.22
IUPAC NameN-[2-benzyl-3-(5-hydroxy-2-pyridinyl)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide
SMILESC[C@H](NC(=O)C(Cc1ccccc1)(Cc1ccc(O)cn1)NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H29N3O3/c1-22(24-13-7-3-8-14-24)32-29(36)30(19-23-11-5-2-6-12-23,20-26-17-18-27(34)21-31-26)33-28(35)25-15-9-4-10-16-25/h2-18,21-22,34H,19-20H2,1H3,(H,32,36)(H,33,35)/t22-,30?/m0/s1
InChIKeyUMEPVGVOLFLLID-VUUJKMBOSA-N
XLogP4.62
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-benzyl-3-(5-hydroxy-2-pyridinyl)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide?
The IUPAC name of N-[2-benzyl-3-(5-hydroxy-2-pyridinyl)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide (CID 5470926) is N-[2-benzyl-3-(5-hydroxy-2-pyridinyl)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide.
What is the SMILES notation for N-[2-benzyl-3-(5-hydroxy-2-pyridinyl)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide?
The canonical SMILES for N-[2-benzyl-3-(5-hydroxy-2-pyridinyl)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide is C[C@H](NC(=O)C(Cc1ccccc1)(Cc1ccc(O)cn1)NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-benzyl-3-(5-hydroxy-2-pyridinyl)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide?
The InChIKey is UMEPVGVOLFLLID-VUUJKMBOSA-N. The full InChI is InChI=1S/C30H29N3O3/c1-22(24-13-7-3-8-14-24)32-29(36)30(19-23-11-5-2-6-12-23,20-26-17-18-27(34)21-31-26)33-28(35)25-15-9-4-10-16-25/h2-18,21-22,34H,19-20H2,1H3,(H,32,36)(H,33,35)/t22-,30?/m0/s1.
What are the key properties of N-[2-benzyl-3-(5-hydroxy-2-pyridinyl)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide?
N-[2-benzyl-3-(5-hydroxy-2-pyridinyl)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide has a molecular weight of 479.58 g/mol, XLogP of 4.62, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-benzyl-3-(5-hydroxy-2-pyridinyl)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide is sourced from PubChem (CID 5470926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).