5-(5-chloro-2-hydroxybenzoyl)-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxopyridine-3-carboxamide

C31H29ClN2O6 — CID 3950334

IUPAC5-(5-chloro-2-hydroxybenzoyl)-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxopyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(C(=O)c3cc(Cl)ccc3O)cn(CCc3ccc(OC)cc3)c2=O)cc1
InChIInChI=1S/C31H29ClN2O6/c1-39-24-8-3-20(4-9-24)13-15-33-30(37)27-17-22(29(36)26-18-23(32)7-12-28(26)35)19-34(31(27)38)16-14-21-5-10-25(40-2)11-6-21/h3-12,17-19,35H,13-16H2,1-2H3,(H,33,37)
InChIKeyVOSDCXIGZXJJMU-UHFFFAOYSA-N
MW561.03 g/mol
LogP4.67
Rot. Bonds11

About 5-(5-chloro-2-hydroxybenzoyl)-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxopyridine-3-carboxamide

5-(5-chloro-2-hydroxybenzoyl)-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxopyridine-3-carboxamide (PubChem CID 3950334) has the molecular formula C31H29ClN2O6 and a molecular weight of 561.03 g/mol. Its IUPAC name is 5-(5-chloro-2-hydroxybenzoyl)-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2-hydroxybenzoyl)-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxopyridine-3-carboxamide
PubChem CID3950334
Molecular FormulaC31H29ClN2O6
Molecular Weight561.03 g/mol
Exact Mass560.17
IUPAC Name5-(5-chloro-2-hydroxybenzoyl)-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxopyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(C(=O)c3cc(Cl)ccc3O)cn(CCc3ccc(OC)cc3)c2=O)cc1
InChIInChI=1S/C31H29ClN2O6/c1-39-24-8-3-20(4-9-24)13-15-33-30(37)27-17-22(29(36)26-18-23(32)7-12-28(26)35)19-34(31(27)38)16-14-21-5-10-25(40-2)11-6-21/h3-12,17-19,35H,13-16H2,1-2H3,(H,33,37)
InChIKeyVOSDCXIGZXJJMU-UHFFFAOYSA-N
XLogP4.67
TPSA106.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.03
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-hydroxybenzoyl)-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 5-(5-chloro-2-hydroxybenzoyl)-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxopyridine-3-carboxamide (CID 3950334) is 5-(5-chloro-2-hydroxybenzoyl)-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-(5-chloro-2-hydroxybenzoyl)-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 5-(5-chloro-2-hydroxybenzoyl)-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxopyridine-3-carboxamide is COc1ccc(CCNC(=O)c2cc(C(=O)c3cc(Cl)ccc3O)cn(CCc3ccc(OC)cc3)c2=O)cc1.
What is the InChIKey of 5-(5-chloro-2-hydroxybenzoyl)-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxopyridine-3-carboxamide?
The InChIKey is VOSDCXIGZXJJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29ClN2O6/c1-39-24-8-3-20(4-9-24)13-15-33-30(37)27-17-22(29(36)26-18-23(32)7-12-28(26)35)19-34(31(27)38)16-14-21-5-10-25(40-2)11-6-21/h3-12,17-19,35H,13-16H2,1-2H3,(H,33,37).
What are the key properties of 5-(5-chloro-2-hydroxybenzoyl)-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxopyridine-3-carboxamide?
5-(5-chloro-2-hydroxybenzoyl)-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxopyridine-3-carboxamide has a molecular weight of 561.03 g/mol, XLogP of 4.67, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-hydroxybenzoyl)-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 3950334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).