4-[[(2S)-2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]benzamide

C29H25ClN4O5 — CID 134323497

IUPAC4-[[(2S)-2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]benzamide
SMILESCOc1cn([C@@H](Cc2ccccn2)C(=O)Nc2ccc(C(N)=O)cc2)c(=O)cc1-c1cc(Cl)ccc1C(C)=O
InChIInChI=1S/C29H25ClN4O5/c1-17(35)22-11-8-19(30)13-23(22)24-15-27(36)34(16-26(24)39-2)25(14-21-5-3-4-12-32-21)29(38)33-20-9-6-18(7-10-20)28(31)37/h3-13,15-16,25H,14H2,1-2H3,(H2,31,37)(H,33,38)/t25-/m0/s1
InChIKeyQWOPIDPPDODZBJ-VWLOTQADSA-N
MW545.00 g/mol
LogP4.30
Rot. Bonds9

About 4-[[(2S)-2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]benzamide

4-[[(2S)-2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]benzamide (PubChem CID 134323497) has the molecular formula C29H25ClN4O5 and a molecular weight of 545.00 g/mol. Its IUPAC name is 4-[[(2S)-2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[(2S)-2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]benzamide
PubChem CID134323497
Molecular FormulaC29H25ClN4O5
Molecular Weight545.00 g/mol
Exact Mass544.15
IUPAC Name4-[[(2S)-2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]benzamide
SMILESCOc1cn([C@@H](Cc2ccccn2)C(=O)Nc2ccc(C(N)=O)cc2)c(=O)cc1-c1cc(Cl)ccc1C(C)=O
InChIInChI=1S/C29H25ClN4O5/c1-17(35)22-11-8-19(30)13-23(22)24-15-27(36)34(16-26(24)39-2)25(14-21-5-3-4-12-32-21)29(38)33-20-9-6-18(7-10-20)28(31)37/h3-13,15-16,25H,14H2,1-2H3,(H2,31,37)(H,33,38)/t25-/m0/s1
InChIKeyQWOPIDPPDODZBJ-VWLOTQADSA-N
XLogP4.30
TPSA133.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.00
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]benzamide?
The IUPAC name of 4-[[(2S)-2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]benzamide (CID 134323497) is 4-[[(2S)-2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]benzamide.
What is the SMILES notation for 4-[[(2S)-2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]benzamide?
The canonical SMILES for 4-[[(2S)-2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]benzamide is COc1cn([C@@H](Cc2ccccn2)C(=O)Nc2ccc(C(N)=O)cc2)c(=O)cc1-c1cc(Cl)ccc1C(C)=O.
What is the InChIKey of 4-[[(2S)-2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]benzamide?
The InChIKey is QWOPIDPPDODZBJ-VWLOTQADSA-N. The full InChI is InChI=1S/C29H25ClN4O5/c1-17(35)22-11-8-19(30)13-23(22)24-15-27(36)34(16-26(24)39-2)25(14-21-5-3-4-12-32-21)29(38)33-20-9-6-18(7-10-20)28(31)37/h3-13,15-16,25H,14H2,1-2H3,(H2,31,37)(H,33,38)/t25-/m0/s1.
What are the key properties of 4-[[(2S)-2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]benzamide?
4-[[(2S)-2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]benzamide has a molecular weight of 545.00 g/mol, XLogP of 4.30, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]benzamide is sourced from PubChem (CID 134323497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).