5-(5-methoxy-2-phenylmethoxybenzoyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile

C25H24N2O5 — CID 29432740

IUPAC5-(5-methoxy-2-phenylmethoxybenzoyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile
SMILESCOCCCn1cc(C(=O)c2cc(OC)ccc2OCc2ccccc2)cc(C#N)c1=O
InChIInChI=1S/C25H24N2O5/c1-30-12-6-11-27-16-20(13-19(15-26)25(27)29)24(28)22-14-21(31-2)9-10-23(22)32-17-18-7-4-3-5-8-18/h3-5,7-10,13-14,16H,6,11-12,17H2,1-2H3
InChIKeyDDFYWRAMUYNJGA-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.58
Rot. Bonds10

About 5-(5-methoxy-2-phenylmethoxybenzoyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile

5-(5-methoxy-2-phenylmethoxybenzoyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile (PubChem CID 29432740) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is 5-(5-methoxy-2-phenylmethoxybenzoyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(5-methoxy-2-phenylmethoxybenzoyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile
PubChem CID29432740
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Name5-(5-methoxy-2-phenylmethoxybenzoyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile
SMILESCOCCCn1cc(C(=O)c2cc(OC)ccc2OCc2ccccc2)cc(C#N)c1=O
InChIInChI=1S/C25H24N2O5/c1-30-12-6-11-27-16-20(13-19(15-26)25(27)29)24(28)22-14-21(31-2)9-10-23(22)32-17-18-7-4-3-5-8-18/h3-5,7-10,13-14,16H,6,11-12,17H2,1-2H3
InChIKeyDDFYWRAMUYNJGA-UHFFFAOYSA-N
XLogP3.58
TPSA90.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-(5-methoxy-2-phenylmethoxybenzoyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-[(2-cyanophenyl)methoxy]-5-fluorobenzoyl]-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile
CID 30233755
N-(3-chloro-4-methoxyphenyl)-2-[2-[5-cyano-1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]phenoxy]acetamide
CID 2495032
4-[[2,4-dibenzoyl-5-[(4-methoxyphenyl)methoxy]phenoxy]methyl]benzonitrile
CID 10325338
2-[2-[5-cyano-1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 2483657
1-(2-ethoxyphenyl)-5-(2-hydroxy-5-methoxybenzoyl)-2-oxopyridine-3-carbonitrile
CID 2369250
5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-1-(4-phenoxyphenyl)pyridine-3-carbonitrile
CID 3613028
5-methoxy-4-(3-methoxypropoxy)-2-phenylmethoxybenzoyl chloride
CID 146330375
4-methoxy-2-(3-phenylpropoxy)benzonitrile
CID 22685905
5-(3-methoxyphenyl)-2-phenylmethoxybenzonitrile
CID 175686469
1-[3-(3-methoxyphenyl)propyl]-5-nitro-2-oxopyridine-3-carbonitrile
CID 84584582
N'-[4-(2-methoxyethoxy)benzoyl]-2-phenylmethoxybenzohydrazide
CID 17353669
5-[(2S)-1-methoxypropan-2-yl]oxy-2-phenylmethoxybenzoic acid
CID 67487058

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-2-phenylmethoxybenzoyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-(5-methoxy-2-phenylmethoxybenzoyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile (CID 29432740) is 5-(5-methoxy-2-phenylmethoxybenzoyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-(5-methoxy-2-phenylmethoxybenzoyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-(5-methoxy-2-phenylmethoxybenzoyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile is COCCCn1cc(C(=O)c2cc(OC)ccc2OCc2ccccc2)cc(C#N)c1=O.
What is the InChIKey of 5-(5-methoxy-2-phenylmethoxybenzoyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is DDFYWRAMUYNJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-30-12-6-11-27-16-20(13-19(15-26)25(27)29)24(28)22-14-21(31-2)9-10-23(22)32-17-18-7-4-3-5-8-18/h3-5,7-10,13-14,16H,6,11-12,17H2,1-2H3.
What are the key properties of 5-(5-methoxy-2-phenylmethoxybenzoyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile?
5-(5-methoxy-2-phenylmethoxybenzoyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 432.48 g/mol, XLogP of 3.58, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-2-phenylmethoxybenzoyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 29432740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).