hydron;2-hydroxypropanoate;6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile

C15H15N3O4 — CID 24906308

IUPAChydron;2-hydroxypropanoate;6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile
SMILESCC(O)C(=O)[O-].Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1.[H+]
InChIInChI=1S/C12H9N3O.C3H6O3/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8;1-2(4)3(5)6/h2-6H,1H3,(H,15,16);2,4H,1H3,(H,5,6)
InChIKeyVWUPWEAFIOQCGF-UHFFFAOYSA-N
MW301.30 g/mol
LogP-0.15
Rot. Bonds2

About hydron;2-hydroxypropanoate;6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile

hydron;2-hydroxypropanoate;6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile (PubChem CID 24906308) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is hydron;2-hydroxypropanoate;6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Namehydron;2-hydroxypropanoate;6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile
PubChem CID24906308
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Namehydron;2-hydroxypropanoate;6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile
SMILESCC(O)C(=O)[O-].Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1.[H+]
InChIInChI=1S/C12H9N3O.C3H6O3/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8;1-2(4)3(5)6/h2-6H,1H3,(H,15,16);2,4H,1H3,(H,5,6)
InChIKeyVWUPWEAFIOQCGF-UHFFFAOYSA-N
XLogP-0.15
TPSA129.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Milrinone
CID 4197
Inamrinone Lactate
CID 3035194
Milrinone Lactate
CID 172293
6-[(E)-Hydrazinylidenemethyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile
CID 9794736
6-methyl-5-(3-methyl-4-pyridinyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 10082379
2-methyl-3,4'-bipyridin-6(1H)-one
CID 133351
2-oxo-6-propyl-5-pyridin-4-yl-1H-pyridine-3-carbonitrile
CID 12789009
2-Ethyl Milrinone
CID 12873360
2-Oxo-6-(pyridin-4-yl)-1,2-dihydropyridine-3-carbonitrile
CID 2747087
2-(Hydroxymethyl)-6-oxo-1,6-dihydro-[3,4'-bipyridine]-5-carbonitrile Trifluoroacetate Salt
CID 49796393
3-Cyano-5-(4-pyridyl)-6-hydrazonomethyl-2-pyridone
CID 137321290
2-hydroxy-N-[2-(pyridin-4-yl)ethyl]propanamide
CID 91662949

Frequently Asked Questions

What is the IUPAC name of hydron;2-hydroxypropanoate;6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of hydron;2-hydroxypropanoate;6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile (CID 24906308) is hydron;2-hydroxypropanoate;6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for hydron;2-hydroxypropanoate;6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for hydron;2-hydroxypropanoate;6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile is CC(O)C(=O)[O-].Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1.[H+].
What is the InChIKey of hydron;2-hydroxypropanoate;6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile?
The InChIKey is VWUPWEAFIOQCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O.C3H6O3/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8;1-2(4)3(5)6/h2-6H,1H3,(H,15,16);2,4H,1H3,(H,5,6).
What are the key properties of hydron;2-hydroxypropanoate;6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile?
hydron;2-hydroxypropanoate;6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile has a molecular weight of 301.30 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;2-hydroxypropanoate;6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 24906308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).