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

C18H20N4O2 — CID 78808574

IUPAC3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(1-pyridin-4-ylethyl)propanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC(C)c1ccncc1
InChIInChI=1S/C18H20N4O2/c1-11-15(13(3)22-18(24)16(11)10-19)4-5-17(23)21-12(2)14-6-8-20-9-7-14/h6-9,12H,4-5H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyAAJOOPLHJNVXNL-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.07
Rot. Bonds5

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

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(1-pyridin-4-ylethyl)propanamide (PubChem CID 78808574) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(1-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(1-pyridin-4-ylethyl)propanamide
PubChem CID78808574
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(1-pyridin-4-ylethyl)propanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC(C)c1ccncc1
InChIInChI=1S/C18H20N4O2/c1-11-15(13(3)22-18(24)16(11)10-19)4-5-17(23)21-12(2)14-6-8-20-9-7-14/h6-9,12H,4-5H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyAAJOOPLHJNVXNL-UHFFFAOYSA-N
XLogP2.07
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(1-pyridin-4-ylethyl)propanamide with MolForge

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
CID 17420582
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1R)-2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 52528410
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide
CID 94080482
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(furan-2-yl)butan-2-yl]propanamide
CID 18162533
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 92604845
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-iodophenyl)propanamide
CID 46520113
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 7530470
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide
CID 24553091
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 134003492
N-(2-amino-1-cyclohexylethyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide;hydrochloride
CID 119260908
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3,5-dimethoxyphenyl)propanamide
CID 7598664
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-phenylsulfanylpropyl)propanamide
CID 46563213

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(1-pyridin-4-ylethyl)propanamide?
The IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(1-pyridin-4-ylethyl)propanamide (CID 78808574) is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(1-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(1-pyridin-4-ylethyl)propanamide?
The canonical SMILES for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(1-pyridin-4-ylethyl)propanamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC(C)c1ccncc1.
What is the InChIKey of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(1-pyridin-4-ylethyl)propanamide?
The InChIKey is AAJOOPLHJNVXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-11-15(13(3)22-18(24)16(11)10-19)4-5-17(23)21-12(2)14-6-8-20-9-7-14/h6-9,12H,4-5H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(1-pyridin-4-ylethyl)propanamide?
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(1-pyridin-4-ylethyl)propanamide has a molecular weight of 324.38 g/mol, XLogP of 2.07, 5 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-(1-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 78808574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).