1-(2-aminopropyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile

C11H15N3O2 — CID 59712714

IUPAC1-(2-aminopropyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(C)c(O)n(CC(C)N)c(=O)c1C#N
InChIInChI=1S/C11H15N3O2/c1-6(13)5-14-10(15)8(3)7(2)9(4-12)11(14)16/h6,15H,5,13H2,1-3H3
InChIKeyMFPZJCRFGLYKAH-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.39
Rot. Bonds2

About 1-(2-aminopropyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile

1-(2-aminopropyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 59712714) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(2-aminopropyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(2-aminopropyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID59712714
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-(2-aminopropyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(C)c(O)n(CC(C)N)c(=O)c1C#N
InChIInChI=1S/C11H15N3O2/c1-6(13)5-14-10(15)8(3)7(2)9(4-12)11(14)16/h6,15H,5,13H2,1-3H3
InChIKeyMFPZJCRFGLYKAH-UHFFFAOYSA-N
XLogP0.39
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopropyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(2-aminopropyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile (CID 59712714) is 1-(2-aminopropyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(2-aminopropyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(2-aminopropyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile is Cc1c(C)c(O)n(CC(C)N)c(=O)c1C#N.
What is the InChIKey of 1-(2-aminopropyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is MFPZJCRFGLYKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-6(13)5-14-10(15)8(3)7(2)9(4-12)11(14)16/h6,15H,5,13H2,1-3H3.
What are the key properties of 1-(2-aminopropyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile?
1-(2-aminopropyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 221.26 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopropyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 59712714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).