1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-3-(piperidin-1-ylmethyl)-3H-pyridine-5-carbonitrile

C15H21N3O3 — CID 4136269

IUPAC1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-3-(piperidin-1-ylmethyl)-3H-pyridine-5-carbonitrile
SMILESCC1=C(C#N)C(=O)N(CCO)C(=O)C1CN1CCCCC1
InChIInChI=1S/C15H21N3O3/c1-11-12(9-16)14(20)18(7-8-19)15(21)13(11)10-17-5-3-2-4-6-17/h13,19H,2-8,10H2,1H3
InChIKeyQOVXBRXCCXPAMG-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.29
Rot. Bonds4

About 1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-3-(piperidin-1-ylmethyl)-3H-pyridine-5-carbonitrile

1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-3-(piperidin-1-ylmethyl)-3H-pyridine-5-carbonitrile (PubChem CID 4136269) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-3-(piperidin-1-ylmethyl)-3H-pyridine-5-carbonitrile.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-3-(piperidin-1-ylmethyl)-3H-pyridine-5-carbonitrile
PubChem CID4136269
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-3-(piperidin-1-ylmethyl)-3H-pyridine-5-carbonitrile
SMILESCC1=C(C#N)C(=O)N(CCO)C(=O)C1CN1CCCCC1
InChIInChI=1S/C15H21N3O3/c1-11-12(9-16)14(20)18(7-8-19)15(21)13(11)10-17-5-3-2-4-6-17/h13,19H,2-8,10H2,1H3
InChIKeyQOVXBRXCCXPAMG-UHFFFAOYSA-N
XLogP0.29
TPSA84.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-3-(piperidin-1-ylmethyl)-3H-pyridine-5-carbonitrile?
The IUPAC name of 1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-3-(piperidin-1-ylmethyl)-3H-pyridine-5-carbonitrile (CID 4136269) is 1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-3-(piperidin-1-ylmethyl)-3H-pyridine-5-carbonitrile.
What is the SMILES notation for 1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-3-(piperidin-1-ylmethyl)-3H-pyridine-5-carbonitrile?
The canonical SMILES for 1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-3-(piperidin-1-ylmethyl)-3H-pyridine-5-carbonitrile is CC1=C(C#N)C(=O)N(CCO)C(=O)C1CN1CCCCC1.
What is the InChIKey of 1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-3-(piperidin-1-ylmethyl)-3H-pyridine-5-carbonitrile?
The InChIKey is QOVXBRXCCXPAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11-12(9-16)14(20)18(7-8-19)15(21)13(11)10-17-5-3-2-4-6-17/h13,19H,2-8,10H2,1H3.
What are the key properties of 1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-3-(piperidin-1-ylmethyl)-3H-pyridine-5-carbonitrile?
1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-3-(piperidin-1-ylmethyl)-3H-pyridine-5-carbonitrile has a molecular weight of 291.35 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-3-(piperidin-1-ylmethyl)-3H-pyridine-5-carbonitrile is sourced from PubChem (CID 4136269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).