1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile

C9H11N3O2 — CID 11159846

IUPAC1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
SMILESCc1cc(=O)n(CCN)c(O)c1C#N
InChIInChI=1S/C9H11N3O2/c1-6-4-8(13)12(3-2-10)9(14)7(6)5-11/h4,14H,2-3,10H2,1H3
InChIKeyNPSZDCCHDLAJHI-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.31
Rot. Bonds2

About 1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile

1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile (PubChem CID 11159846) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
PubChem CID11159846
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
SMILESCc1cc(=O)n(CCN)c(O)c1C#N
InChIInChI=1S/C9H11N3O2/c1-6-4-8(13)12(3-2-10)9(14)7(6)5-11/h4,14H,2-3,10H2,1H3
InChIKeyNPSZDCCHDLAJHI-UHFFFAOYSA-N
XLogP-0.31
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile (CID 11159846) is 1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile is Cc1cc(=O)n(CCN)c(O)c1C#N.
What is the InChIKey of 1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The InChIKey is NPSZDCCHDLAJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-6-4-8(13)12(3-2-10)9(14)7(6)5-11/h4,14H,2-3,10H2,1H3.
What are the key properties of 1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile has a molecular weight of 193.21 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 11159846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).