4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-(3-ethoxypropyl)benzamide

C22H26N4O4 — CID 46346596

IUPAC4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1ccc(NC(=O)Cn2c(C)cc(C)c(C#N)c2=O)cc1
InChIInChI=1S/C22H26N4O4/c1-4-30-11-5-10-24-21(28)17-6-8-18(9-7-17)25-20(27)14-26-16(3)12-15(2)19(13-23)22(26)29/h6-9,12H,4-5,10-11,14H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyNUXPKAHXYZCMJQ-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.13
Rot. Bonds9

About 4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-(3-ethoxypropyl)benzamide

4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-(3-ethoxypropyl)benzamide (PubChem CID 46346596) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-(3-ethoxypropyl)benzamide.

Molecular Properties

Compound Name4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-(3-ethoxypropyl)benzamide
PubChem CID46346596
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1ccc(NC(=O)Cn2c(C)cc(C)c(C#N)c2=O)cc1
InChIInChI=1S/C22H26N4O4/c1-4-30-11-5-10-24-21(28)17-6-8-18(9-7-17)25-20(27)14-26-16(3)12-15(2)19(13-23)22(26)29/h6-9,12H,4-5,10-11,14H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyNUXPKAHXYZCMJQ-UHFFFAOYSA-N
XLogP2.13
TPSA113.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

butyl 4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]benzoate
CID 126415850
4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]benzoic acid
CID 53331259
4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 46346575
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(4-fluorophenyl)acetamide
CID 5306782
4-cyano-N-(3-ethoxypropyl)benzamide
CID 24708113
N-(3-bromophenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide
CID 126417064
3-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 46346516
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2,6-dichlorophenyl)acetamide
CID 126415856
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2-methyl-5-nitrophenyl)acetamide
CID 126416168
N-(3-methoxypropyl)-4-[[2-(3-methoxypropylamino)acetyl]amino]benzamide
CID 54828874
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2,5-difluorophenyl)acetamide
CID 8721534
N,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide
CID 17205407

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-(3-ethoxypropyl)benzamide?
The IUPAC name of 4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-(3-ethoxypropyl)benzamide (CID 46346596) is 4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-(3-ethoxypropyl)benzamide.
What is the SMILES notation for 4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-(3-ethoxypropyl)benzamide?
The canonical SMILES for 4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-(3-ethoxypropyl)benzamide is CCOCCCNC(=O)c1ccc(NC(=O)Cn2c(C)cc(C)c(C#N)c2=O)cc1.
What is the InChIKey of 4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-(3-ethoxypropyl)benzamide?
The InChIKey is NUXPKAHXYZCMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-4-30-11-5-10-24-21(28)17-6-8-18(9-7-17)25-20(27)14-26-16(3)12-15(2)19(13-23)22(26)29/h6-9,12H,4-5,10-11,14H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of 4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-(3-ethoxypropyl)benzamide?
4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-(3-ethoxypropyl)benzamide has a molecular weight of 410.47 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-(3-ethoxypropyl)benzamide is sourced from PubChem (CID 46346596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).