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

C32H32N2O6 — CID 2369153

IUPAC5-(2-hydroxy-5-methylbenzoyl)-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxopyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(C(=O)c3cc(C)ccc3O)cn(CCc3ccc(OC)cc3)c2=O)cc1
InChIInChI=1S/C32H32N2O6/c1-21-4-13-29(35)27(18-21)30(36)24-19-28(31(37)33-16-14-22-5-9-25(39-2)10-6-22)32(38)34(20-24)17-15-23-7-11-26(40-3)12-8-23/h4-13,18-20,35H,14-17H2,1-3H3,(H,33,37)
InChIKeyIVWLVQQNBWATHO-UHFFFAOYSA-N
MW540.62 g/mol
LogP4.33
Rot. Bonds11

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

5-(2-hydroxy-5-methylbenzoyl)-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxopyridine-3-carboxamide (PubChem CID 2369153) has the molecular formula C32H32N2O6 and a molecular weight of 540.62 g/mol. Its IUPAC name is 5-(2-hydroxy-5-methylbenzoyl)-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-hydroxy-5-methylbenzoyl)-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxopyridine-3-carboxamide
PubChem CID2369153
Molecular FormulaC32H32N2O6
Molecular Weight540.62 g/mol
Exact Mass540.23
IUPAC Name5-(2-hydroxy-5-methylbenzoyl)-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxopyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(C(=O)c3cc(C)ccc3O)cn(CCc3ccc(OC)cc3)c2=O)cc1
InChIInChI=1S/C32H32N2O6/c1-21-4-13-29(35)27(18-21)30(36)24-19-28(31(37)33-16-14-22-5-9-25(39-2)10-6-22)32(38)34(20-24)17-15-23-7-11-26(40-3)12-8-23/h4-13,18-20,35H,14-17H2,1-3H3,(H,33,37)
InChIKeyIVWLVQQNBWATHO-UHFFFAOYSA-N
XLogP4.33
TPSA106.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.62
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-hydroxy-5-methylbenzamide
CID 27646537
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
N-[2-(4-methoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100708090
N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 164627851
2-(3,4-dihydroxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113199037
N-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766148
N-[2-(4-methoxyphenyl)ethyl]naphthalene-1-carboxamide
CID 2231008
N-[2-(4-methoxyphenyl)ethyl]-2-sulfanylbenzamide
CID 103601610
2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 699177
2-hydroxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 11086863
3-bromo-N-[2-(4-methoxyphenyl)ethyl]-5-methylbenzamide
CID 104851757
2-(2-methoxy-5-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 18107479

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-5-methylbenzoyl)-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 5-(2-hydroxy-5-methylbenzoyl)-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxopyridine-3-carboxamide (CID 2369153) is 5-(2-hydroxy-5-methylbenzoyl)-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-(2-hydroxy-5-methylbenzoyl)-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 5-(2-hydroxy-5-methylbenzoyl)-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxopyridine-3-carboxamide is COc1ccc(CCNC(=O)c2cc(C(=O)c3cc(C)ccc3O)cn(CCc3ccc(OC)cc3)c2=O)cc1.
What is the InChIKey of 5-(2-hydroxy-5-methylbenzoyl)-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxopyridine-3-carboxamide?
The InChIKey is IVWLVQQNBWATHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O6/c1-21-4-13-29(35)27(18-21)30(36)24-19-28(31(37)33-16-14-22-5-9-25(39-2)10-6-22)32(38)34(20-24)17-15-23-7-11-26(40-3)12-8-23/h4-13,18-20,35H,14-17H2,1-3H3,(H,33,37).
What are the key properties of 5-(2-hydroxy-5-methylbenzoyl)-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxopyridine-3-carboxamide?
5-(2-hydroxy-5-methylbenzoyl)-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxopyridine-3-carboxamide has a molecular weight of 540.62 g/mol, XLogP of 4.33, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-5-methylbenzoyl)-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 2369153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).