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

C24H25N3O3 — CID 5470925

IUPACN-[3-(5-hydroxy-2-pyridinyl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide
SMILESC[C@H](NC(=O)C(C)(Cc1ccc(O)cn1)NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25N3O3/c1-17(18-9-5-3-6-10-18)26-23(30)24(2,15-20-13-14-21(28)16-25-20)27-22(29)19-11-7-4-8-12-19/h3-14,16-17,28H,15H2,1-2H3,(H,26,30)(H,27,29)/t17-,24?/m0/s1
InChIKeyJDTAPMBODQRAOV-KEJDIYNNSA-N
MW403.48 g/mol
LogP3.40
Rot. Bonds7

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

N-[3-(5-hydroxy-2-pyridinyl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide (PubChem CID 5470925) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[3-(5-hydroxy-2-pyridinyl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-(5-hydroxy-2-pyridinyl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide
PubChem CID5470925
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[3-(5-hydroxy-2-pyridinyl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide
SMILESC[C@H](NC(=O)C(C)(Cc1ccc(O)cn1)NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25N3O3/c1-17(18-9-5-3-6-10-18)26-23(30)24(2,15-20-13-14-21(28)16-25-20)27-22(29)19-11-7-4-8-12-19/h3-14,16-17,28H,15H2,1-2H3,(H,26,30)(H,27,29)/t17-,24?/m0/s1
InChIKeyJDTAPMBODQRAOV-KEJDIYNNSA-N
XLogP3.40
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-hydroxy-2-pyridinyl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide?
The IUPAC name of N-[3-(5-hydroxy-2-pyridinyl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide (CID 5470925) is N-[3-(5-hydroxy-2-pyridinyl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide.
What is the SMILES notation for N-[3-(5-hydroxy-2-pyridinyl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide?
The canonical SMILES for N-[3-(5-hydroxy-2-pyridinyl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide is C[C@H](NC(=O)C(C)(Cc1ccc(O)cn1)NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[3-(5-hydroxy-2-pyridinyl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide?
The InChIKey is JDTAPMBODQRAOV-KEJDIYNNSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-17(18-9-5-3-6-10-18)26-23(30)24(2,15-20-13-14-21(28)16-25-20)27-22(29)19-11-7-4-8-12-19/h3-14,16-17,28H,15H2,1-2H3,(H,26,30)(H,27,29)/t17-,24?/m0/s1.
What are the key properties of N-[3-(5-hydroxy-2-pyridinyl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide?
N-[3-(5-hydroxy-2-pyridinyl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide has a molecular weight of 403.48 g/mol, XLogP of 3.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-hydroxy-2-pyridinyl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide is sourced from PubChem (CID 5470925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).