1-[2-(ethylamino)ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile

C11H15N3O2 — CID 57233491

IUPAC1-[2-(ethylamino)ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
SMILESCCNCCn1c(O)c(C#N)c(C)cc1=O
InChIInChI=1S/C11H15N3O2/c1-3-13-4-5-14-10(15)6-8(2)9(7-12)11(14)16/h6,13,16H,3-5H2,1-2H3
InChIKeyRSJHGYDOMYQKEU-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.34
Rot. Bonds4

About 1-[2-(ethylamino)ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile

1-[2-(ethylamino)ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile (PubChem CID 57233491) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-[2-(ethylamino)ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[2-(ethylamino)ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
PubChem CID57233491
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-[2-(ethylamino)ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
SMILESCCNCCn1c(O)c(C#N)c(C)cc1=O
InChIInChI=1S/C11H15N3O2/c1-3-13-4-5-14-10(15)6-8(2)9(7-12)11(14)16/h6,13,16H,3-5H2,1-2H3
InChIKeyRSJHGYDOMYQKEU-UHFFFAOYSA-N
XLogP0.34
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)propanoic acid
CID 21264851
1-(3-ethoxypropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 14388541
1-[2-(2-ethoxyethoxy)ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 162372584
N-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)acetamide
CID 139660865
2-hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-4-methyl-6-oxopyridine-3-carboxamide
CID 67569476
1-cyclopropyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 84662487
1-(1-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 19688388
N-[2-(2-hydroxy-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]acetamide
CID 20541698
N-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)-N,2-dimethylpropanamide
CID 123889730
1-dodecyl-N-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
CID 57026871
1,3-bis[5-(ethylamino)pentyl]-6-methylpyrimidine-2,4-dione
CID 71368512
3-cyano-1,4-dimethyl-6-oxopyridin-2-olate
CID 41097286

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[2-(ethylamino)ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile (CID 57233491) is 1-[2-(ethylamino)ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[2-(ethylamino)ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[2-(ethylamino)ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile is CCNCCn1c(O)c(C#N)c(C)cc1=O.
What is the InChIKey of 1-[2-(ethylamino)ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The InChIKey is RSJHGYDOMYQKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-3-13-4-5-14-10(15)6-8(2)9(7-12)11(14)16/h6,13,16H,3-5H2,1-2H3.
What are the key properties of 1-[2-(ethylamino)ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
1-[2-(ethylamino)ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile has a molecular weight of 221.26 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 57233491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).