N-(6-ethoxy-3-pyridinyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide

C28H26N4O4 — CID 167844684

IUPACN-(6-ethoxy-3-pyridinyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
SMILESCCOc1ccc(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)cn1
InChIInChI=1S/C28H26N4O4/c1-2-36-26-11-10-24(17-30-26)31-28(35)23-5-3-4-22(16-23)25(18-33)32-27(34)21-8-6-19(7-9-21)20-12-14-29-15-13-20/h3-17,25,33H,2,18H2,1H3,(H,31,35)(H,32,34)/t25-/m1/s1
InChIKeyYFUQAHFGXZUTJU-RUZDIDTESA-N
MW482.54 g/mol
LogP4.26
Rot. Bonds9

About N-(6-ethoxy-3-pyridinyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide

N-(6-ethoxy-3-pyridinyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide (PubChem CID 167844684) has the molecular formula C28H26N4O4 and a molecular weight of 482.54 g/mol. Its IUPAC name is N-(6-ethoxy-3-pyridinyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide.

Molecular Properties

Compound NameN-(6-ethoxy-3-pyridinyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
PubChem CID167844684
Molecular FormulaC28H26N4O4
Molecular Weight482.54 g/mol
Exact Mass482.20
IUPAC NameN-(6-ethoxy-3-pyridinyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
SMILESCCOc1ccc(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)cn1
InChIInChI=1S/C28H26N4O4/c1-2-36-26-11-10-24(17-30-26)31-28(35)23-5-3-4-22(16-23)25(18-33)32-27(34)21-8-6-19(7-9-21)20-12-14-29-15-13-20/h3-17,25,33H,2,18H2,1H3,(H,31,35)(H,32,34)/t25-/m1/s1
InChIKeyYFUQAHFGXZUTJU-RUZDIDTESA-N
XLogP4.26
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-3-pyridinyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide?
The IUPAC name of N-(6-ethoxy-3-pyridinyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide (CID 167844684) is N-(6-ethoxy-3-pyridinyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide.
What is the SMILES notation for N-(6-ethoxy-3-pyridinyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide?
The canonical SMILES for N-(6-ethoxy-3-pyridinyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide is CCOc1ccc(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)cn1.
What is the InChIKey of N-(6-ethoxy-3-pyridinyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide?
The InChIKey is YFUQAHFGXZUTJU-RUZDIDTESA-N. The full InChI is InChI=1S/C28H26N4O4/c1-2-36-26-11-10-24(17-30-26)31-28(35)23-5-3-4-22(16-23)25(18-33)32-27(34)21-8-6-19(7-9-21)20-12-14-29-15-13-20/h3-17,25,33H,2,18H2,1H3,(H,31,35)(H,32,34)/t25-/m1/s1.
What are the key properties of N-(6-ethoxy-3-pyridinyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide?
N-(6-ethoxy-3-pyridinyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide has a molecular weight of 482.54 g/mol, XLogP of 4.26, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-3-pyridinyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide is sourced from PubChem (CID 167844684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).