3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-oxo-2-(propylamino)ethyl]propanamide

C16H22N4O3 — CID 18162803

IUPAC3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-oxo-2-(propylamino)ethyl]propanamide
SMILESCCCNC(=O)CNC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C
InChIInChI=1S/C16H22N4O3/c1-4-7-18-15(22)9-19-14(21)6-5-12-10(2)13(8-17)16(23)20-11(12)3/h4-7,9H2,1-3H3,(H,18,22)(H,19,21)(H,20,23)
InChIKeyCACCVXUMBRVLPA-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.44
Rot. Bonds7

About 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-oxo-2-(propylamino)ethyl]propanamide

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-oxo-2-(propylamino)ethyl]propanamide (PubChem CID 18162803) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-oxo-2-(propylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-oxo-2-(propylamino)ethyl]propanamide
PubChem CID18162803
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-oxo-2-(propylamino)ethyl]propanamide
SMILESCCCNC(=O)CNC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C
InChIInChI=1S/C16H22N4O3/c1-4-7-18-15(22)9-19-14(21)6-5-12-10(2)13(8-17)16(23)20-11(12)3/h4-7,9H2,1-3H3,(H,18,22)(H,19,21)(H,20,23)
InChIKeyCACCVXUMBRVLPA-UHFFFAOYSA-N
XLogP0.44
TPSA114.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.44
H-Bond Donors ≤ 53
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-[2-oxo-2-(propylamino)ethyl]propanamide?
The IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-oxo-2-(propylamino)ethyl]propanamide (CID 18162803) is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-oxo-2-(propylamino)ethyl]propanamide.
What is the SMILES notation for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-oxo-2-(propylamino)ethyl]propanamide?
The canonical SMILES for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-oxo-2-(propylamino)ethyl]propanamide is CCCNC(=O)CNC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C.
What is the InChIKey of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-oxo-2-(propylamino)ethyl]propanamide?
The InChIKey is CACCVXUMBRVLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-4-7-18-15(22)9-19-14(21)6-5-12-10(2)13(8-17)16(23)20-11(12)3/h4-7,9H2,1-3H3,(H,18,22)(H,19,21)(H,20,23).
What are the key properties of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-oxo-2-(propylamino)ethyl]propanamide?
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-oxo-2-(propylamino)ethyl]propanamide has a molecular weight of 318.38 g/mol, XLogP of 0.44, 7 rotatable bonds, 3 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-[2-oxo-2-(propylamino)ethyl]propanamide is sourced from PubChem (CID 18162803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).