[3-[[2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoyl]amino]phenyl]methylcarbamic acid

C31H28ClN3O6 — CID 138687207

IUPAC[3-[[2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoyl]amino]phenyl]methylcarbamic acid
SMILESCOc1cn(C(Cc2ccccc2)C(=O)Nc2cccc(CNC(=O)O)c2)c(=O)cc1-c1cc(Cl)ccc1C(C)=O
InChIInChI=1S/C31H28ClN3O6/c1-19(36)24-12-11-22(32)15-25(24)26-16-29(37)35(18-28(26)41-2)27(14-20-7-4-3-5-8-20)30(38)34-23-10-6-9-21(13-23)17-33-31(39)40/h3-13,15-16,18,27,33H,14,17H2,1-2H3,(H,34,38)(H,39,40)
InChIKeyIBLDXOWAABEFKP-UHFFFAOYSA-N
MW574.03 g/mol
LogP5.57
Rot. Bonds10

About [3-[[2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoyl]amino]phenyl]methylcarbamic acid

[3-[[2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoyl]amino]phenyl]methylcarbamic acid (PubChem CID 138687207) has the molecular formula C31H28ClN3O6 and a molecular weight of 574.03 g/mol. Its IUPAC name is [3-[[2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoyl]amino]phenyl]methylcarbamic acid.

Molecular Properties

Compound Name[3-[[2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoyl]amino]phenyl]methylcarbamic acid
PubChem CID138687207
Molecular FormulaC31H28ClN3O6
Molecular Weight574.03 g/mol
Exact Mass573.17
IUPAC Name[3-[[2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoyl]amino]phenyl]methylcarbamic acid
SMILESCOc1cn(C(Cc2ccccc2)C(=O)Nc2cccc(CNC(=O)O)c2)c(=O)cc1-c1cc(Cl)ccc1C(C)=O
InChIInChI=1S/C31H28ClN3O6/c1-19(36)24-12-11-22(32)15-25(24)26-16-29(37)35(18-28(26)41-2)27(14-20-7-4-3-5-8-20)30(38)34-23-10-6-9-21(13-23)17-33-31(39)40/h3-13,15-16,18,27,33H,14,17H2,1-2H3,(H,34,38)(H,39,40)
InChIKeyIBLDXOWAABEFKP-UHFFFAOYSA-N
XLogP5.57
TPSA126.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.03
LogP ≤ 55.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
CID 138656563
4-[[2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(2-methoxyphenyl)propanoyl]amino]benzoic acid
CID 134323491
4-[[2-[4-(5-chloro-2-methylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoyl]amino]benzoic acid
CID 155323174
2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(4-methylphenyl)butanamide
CID 138656592
4-[[2-[4-[5-chloro-2-(2-cyclopropylacetyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoyl]amino]benzamide
CID 154959596
4-[[2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(2-cyanophenyl)propanoyl]amino]benzoic acid;ethane
CID 142296022
2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(3-fluoro-4-methylphenyl)-4-methoxybutanamide
CID 166879666
4-(2-acetyl-5-chlorophenyl)-5-methoxy-1-[4-(4-methylsulfonylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridin-2-one
CID 158458924
4-[[2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methylhexanoyl]amino]benzoic acid
CID 138656593
4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-(2-methylphenyl)-2-oxobutyl]benzoic acid
CID 147272548
4-[[(2S)-2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-(1-methylpyrazol-4-yl)butanoyl]amino]benzoic acid
CID 138725074
4-(2-acetyl-5-chlorophenyl)-5-methoxy-1-[4-(2-methyl-3H-benzimidazol-5-yl)-3-oxo-1-phenylbutan-2-yl]pyridin-2-one
CID 148909233

Frequently Asked Questions

What is the IUPAC name of [3-[[2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoyl]amino]phenyl]methylcarbamic acid?
The IUPAC name of [3-[[2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoyl]amino]phenyl]methylcarbamic acid (CID 138687207) is [3-[[2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoyl]amino]phenyl]methylcarbamic acid.
What is the SMILES notation for [3-[[2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoyl]amino]phenyl]methylcarbamic acid?
The canonical SMILES for [3-[[2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoyl]amino]phenyl]methylcarbamic acid is COc1cn(C(Cc2ccccc2)C(=O)Nc2cccc(CNC(=O)O)c2)c(=O)cc1-c1cc(Cl)ccc1C(C)=O.
What is the InChIKey of [3-[[2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoyl]amino]phenyl]methylcarbamic acid?
The InChIKey is IBLDXOWAABEFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28ClN3O6/c1-19(36)24-12-11-22(32)15-25(24)26-16-29(37)35(18-28(26)41-2)27(14-20-7-4-3-5-8-20)30(38)34-23-10-6-9-21(13-23)17-33-31(39)40/h3-13,15-16,18,27,33H,14,17H2,1-2H3,(H,34,38)(H,39,40).
What are the key properties of [3-[[2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoyl]amino]phenyl]methylcarbamic acid?
[3-[[2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoyl]amino]phenyl]methylcarbamic acid has a molecular weight of 574.03 g/mol, XLogP of 5.57, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoyl]amino]phenyl]methylcarbamic acid is sourced from PubChem (CID 138687207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).