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

C16H23N3O3 — CID 111695558

IUPAC3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-hydroxybutyl)-N-methylpropanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CCC(C)O
InChIInChI=1S/C16H23N3O3/c1-10(20)7-8-19(4)15(21)6-5-13-11(2)14(9-17)16(22)18-12(13)3/h10,20H,5-8H2,1-4H3,(H,18,22)
InChIKeyYDHDBVHDWHBCLW-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.03
Rot. Bonds6

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

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-hydroxybutyl)-N-methylpropanamide (PubChem CID 111695558) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-hydroxybutyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-hydroxybutyl)-N-methylpropanamide
PubChem CID111695558
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-hydroxybutyl)-N-methylpropanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CCC(C)O
InChIInChI=1S/C16H23N3O3/c1-10(20)7-8-19(4)15(21)6-5-13-11(2)14(9-17)16(22)18-12(13)3/h10,20H,5-8H2,1-4H3,(H,18,22)
InChIKeyYDHDBVHDWHBCLW-UHFFFAOYSA-N
XLogP1.03
TPSA97.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.03
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-hydroxybutyl)-N-methylpropanamide?
The IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-hydroxybutyl)-N-methylpropanamide (CID 111695558) is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-hydroxybutyl)-N-methylpropanamide.
What is the SMILES notation for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-hydroxybutyl)-N-methylpropanamide?
The canonical SMILES for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-hydroxybutyl)-N-methylpropanamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CCC(C)O.
What is the InChIKey of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-hydroxybutyl)-N-methylpropanamide?
The InChIKey is YDHDBVHDWHBCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-10(20)7-8-19(4)15(21)6-5-13-11(2)14(9-17)16(22)18-12(13)3/h10,20H,5-8H2,1-4H3,(H,18,22).
What are the key properties of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-hydroxybutyl)-N-methylpropanamide?
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-hydroxybutyl)-N-methylpropanamide has a molecular weight of 305.38 g/mol, XLogP of 1.03, 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-hydroxybutyl)-N-methylpropanamide is sourced from PubChem (CID 111695558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).