3-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)propanamide

C11H13N3O2 — CID 84614937

IUPAC3-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)propanamide
SMILESCc1cc(C)n(CCC(N)=O)c(=O)c1C#N
InChIInChI=1S/C11H13N3O2/c1-7-5-8(2)14(4-3-10(13)15)11(16)9(7)6-12/h5H,3-4H2,1-2H3,(H2,13,15)
InChIKeyPNNMRUIBRKVMMB-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.21
Rot. Bonds3

About 3-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)propanamide

3-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)propanamide (PubChem CID 84614937) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)propanamide
PubChem CID84614937
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)propanamide
SMILESCc1cc(C)n(CCC(N)=O)c(=O)c1C#N
InChIInChI=1S/C11H13N3O2/c1-7-5-8(2)14(4-3-10(13)15)11(16)9(7)6-12/h5H,3-4H2,1-2H3,(H2,13,15)
InChIKeyPNNMRUIBRKVMMB-UHFFFAOYSA-N
XLogP0.21
TPSA88.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dimethyl-2-oxo-1-(3-oxobutyl)pyridine-3-carbonitrile
CID 84614931
4-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)butanoic acid
CID 84616792
1-(3-hydroxypropyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 3148839
1-(3-amino-3-oxopropyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid
CID 62859788
4-(2-cyano-3,5-dimethylpyrrol-1-yl)butanamide
CID 84616578
1-[4-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]butyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 172640949
1-[2-(4-methoxyphenoxy)ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 82124655
1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 139051000
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(4-fluorophenyl)acetamide
CID 5306782
N-(2-bromo-4,5-dimethylphenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide
CID 126415451
6-amino-1-butyl-4-methyl-2-oxopyridine-3-carbonitrile
CID 4557970
3-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)propanoic acid
CID 21264851

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)propanamide?
The IUPAC name of 3-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)propanamide (CID 84614937) is 3-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for 3-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for 3-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)propanamide is Cc1cc(C)n(CCC(N)=O)c(=O)c1C#N.
What is the InChIKey of 3-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)propanamide?
The InChIKey is PNNMRUIBRKVMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7-5-8(2)14(4-3-10(13)15)11(16)9(7)6-12/h5H,3-4H2,1-2H3,(H2,13,15).
What are the key properties of 3-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)propanamide?
3-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)propanamide has a molecular weight of 219.24 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 84614937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).