2-[[5-cyano-2-hydroxy-4-methyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-pyridinyl]methylideneamino]benzamide

C22H23N5O4 — CID 135653601

IUPAC2-[[5-cyano-2-hydroxy-4-methyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-pyridinyl]methylideneamino]benzamide
SMILESCc1c(/C=N/c2ccccc2C(N)=O)c(O)n(CCCN2CCCC2=O)c(=O)c1C#N
InChIInChI=1S/C22H23N5O4/c1-14-16(12-23)21(30)27(11-5-10-26-9-4-8-19(26)28)22(31)17(14)13-25-18-7-3-2-6-15(18)20(24)29/h2-3,6-7,13,31H,4-5,8-11H2,1H3,(H2,24,29)/b25-13+
InChIKeyPLTKPBOWXKWKPN-DHRITJCHSA-N
MW421.46 g/mol
LogP1.60
Rot. Bonds7

About 2-[[5-cyano-2-hydroxy-4-methyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-pyridinyl]methylideneamino]benzamide

2-[[5-cyano-2-hydroxy-4-methyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-pyridinyl]methylideneamino]benzamide (PubChem CID 135653601) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is 2-[[5-cyano-2-hydroxy-4-methyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-pyridinyl]methylideneamino]benzamide.

Molecular Properties

Compound Name2-[[5-cyano-2-hydroxy-4-methyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-pyridinyl]methylideneamino]benzamide
PubChem CID135653601
Molecular FormulaC22H23N5O4
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC Name2-[[5-cyano-2-hydroxy-4-methyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-pyridinyl]methylideneamino]benzamide
SMILESCc1c(/C=N/c2ccccc2C(N)=O)c(O)n(CCCN2CCCC2=O)c(=O)c1C#N
InChIInChI=1S/C22H23N5O4/c1-14-16(12-23)21(30)27(11-5-10-26-9-4-8-19(26)28)22(31)17(14)13-25-18-7-3-2-6-15(18)20(24)29/h2-3,6-7,13,31H,4-5,8-11H2,1H3,(H2,24,29)/b25-13+
InChIKeyPLTKPBOWXKWKPN-DHRITJCHSA-N
XLogP1.60
TPSA141.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-[[2-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]phenyl]iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
CID 5080155
N-[4-[(1-butyl-5-cyano-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)methylideneamino]phenyl]acetamide
CID 135653138
5-[(2,3-dichlorophenyl)iminomethyl]-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 135668436
5-[(2,4-dichlorophenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile
CID 135668391
6-hydroxy-5-[(3-hydroxyphenyl)iminomethyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile
CID 135649427
6-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-4-methyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carbonitrile
CID 135669049
6-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-4-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 135669043
1-butan-2-yl-6-hydroxy-4-methyl-5-[(2-methylphenyl)iminomethyl]-2-oxopyridine-3-carbonitrile
CID 135668495
6-hydroxy-1,4-dimethyl-2-oxo-5-(phenyliminomethyl)pyridine-3-carbonitrile
CID 5127810
5-[(4-ethylphenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 135669241
5-[(2-ethoxyphenyl)iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 135984275
5-[(2-bromo-4-nitrophenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
CID 135668577

Frequently Asked Questions

What is the IUPAC name of 2-[[5-cyano-2-hydroxy-4-methyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-pyridinyl]methylideneamino]benzamide?
The IUPAC name of 2-[[5-cyano-2-hydroxy-4-methyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-pyridinyl]methylideneamino]benzamide (CID 135653601) is 2-[[5-cyano-2-hydroxy-4-methyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-pyridinyl]methylideneamino]benzamide.
What is the SMILES notation for 2-[[5-cyano-2-hydroxy-4-methyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-pyridinyl]methylideneamino]benzamide?
The canonical SMILES for 2-[[5-cyano-2-hydroxy-4-methyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-pyridinyl]methylideneamino]benzamide is Cc1c(/C=N/c2ccccc2C(N)=O)c(O)n(CCCN2CCCC2=O)c(=O)c1C#N.
What is the InChIKey of 2-[[5-cyano-2-hydroxy-4-methyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-pyridinyl]methylideneamino]benzamide?
The InChIKey is PLTKPBOWXKWKPN-DHRITJCHSA-N. The full InChI is InChI=1S/C22H23N5O4/c1-14-16(12-23)21(30)27(11-5-10-26-9-4-8-19(26)28)22(31)17(14)13-25-18-7-3-2-6-15(18)20(24)29/h2-3,6-7,13,31H,4-5,8-11H2,1H3,(H2,24,29)/b25-13+.
What are the key properties of 2-[[5-cyano-2-hydroxy-4-methyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-pyridinyl]methylideneamino]benzamide?
2-[[5-cyano-2-hydroxy-4-methyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-pyridinyl]methylideneamino]benzamide has a molecular weight of 421.46 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-cyano-2-hydroxy-4-methyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-pyridinyl]methylideneamino]benzamide is sourced from PubChem (CID 135653601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).