3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide

C18H24N4O3 — CID 18157136

IUPAC3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCC(=O)N1CCCC1
InChIInChI=1S/C18H24N4O3/c1-12-14(13(2)21-18(25)15(12)11-19)5-6-16(23)20-8-7-17(24)22-9-3-4-10-22/h3-10H2,1-2H3,(H,20,23)(H,21,25)
InChIKeyTZMCTFNVDGIUCJ-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.92
Rot. Bonds6

About 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide (PubChem CID 18157136) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
PubChem CID18157136
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCC(=O)N1CCCC1
InChIInChI=1S/C18H24N4O3/c1-12-14(13(2)21-18(25)15(12)11-19)5-6-16(23)20-8-7-17(24)22-9-3-4-10-22/h3-10H2,1-2H3,(H,20,23)(H,21,25)
InChIKeyTZMCTFNVDGIUCJ-UHFFFAOYSA-N
XLogP0.92
TPSA106.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide?
The IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide (CID 18157136) is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide.
What is the SMILES notation for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide?
The canonical SMILES for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCC(=O)N1CCCC1.
What is the InChIKey of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide?
The InChIKey is TZMCTFNVDGIUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12-14(13(2)21-18(25)15(12)11-19)5-6-16(23)20-8-7-17(24)22-9-3-4-10-22/h3-10H2,1-2H3,(H,20,23)(H,21,25).
What are the key properties of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide?
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide has a molecular weight of 344.42 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide is sourced from PubChem (CID 18157136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).