methyl 5-[3-amino-1-(1-methylpyrazol-4-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate

C14H16N4O5 — CID 110204399

IUPACmethyl 5-[3-amino-1-(1-methylpyrazol-4-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]c(=O)c(C(CC(N)=O)c2cnn(C)c2)c1O
InChIInChI=1S/C14H16N4O5/c1-18-6-7(4-17-18)8(3-10(15)19)11-12(20)9(14(22)23-2)5-16-13(11)21/h4-6,8H,3H2,1-2H3,(H2,15,19)(H2,16,20,21)
InChIKeyIDAYWFYHPJKGGL-UHFFFAOYSA-N
MW320.31 g/mol
LogP-0.39
Rot. Bonds5

About methyl 5-[3-amino-1-(1-methylpyrazol-4-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate

methyl 5-[3-amino-1-(1-methylpyrazol-4-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 110204399) has the molecular formula C14H16N4O5 and a molecular weight of 320.31 g/mol. Its IUPAC name is methyl 5-[3-amino-1-(1-methylpyrazol-4-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[3-amino-1-(1-methylpyrazol-4-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
PubChem CID110204399
Molecular FormulaC14H16N4O5
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC Namemethyl 5-[3-amino-1-(1-methylpyrazol-4-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]c(=O)c(C(CC(N)=O)c2cnn(C)c2)c1O
InChIInChI=1S/C14H16N4O5/c1-18-6-7(4-17-18)8(3-10(15)19)11-12(20)9(14(22)23-2)5-16-13(11)21/h4-6,8H,3H2,1-2H3,(H2,15,19)(H2,16,20,21)
InChIKeyIDAYWFYHPJKGGL-UHFFFAOYSA-N
XLogP-0.39
TPSA140.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-amino-1-(1-methylpyrazol-4-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 5-[3-amino-1-(1-methylpyrazol-4-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate (CID 110204399) is methyl 5-[3-amino-1-(1-methylpyrazol-4-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[3-amino-1-(1-methylpyrazol-4-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 5-[3-amino-1-(1-methylpyrazol-4-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate is COC(=O)c1c[nH]c(=O)c(C(CC(N)=O)c2cnn(C)c2)c1O.
What is the InChIKey of methyl 5-[3-amino-1-(1-methylpyrazol-4-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is IDAYWFYHPJKGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O5/c1-18-6-7(4-17-18)8(3-10(15)19)11-12(20)9(14(22)23-2)5-16-13(11)21/h4-6,8H,3H2,1-2H3,(H2,15,19)(H2,16,20,21).
What are the key properties of methyl 5-[3-amino-1-(1-methylpyrazol-4-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
methyl 5-[3-amino-1-(1-methylpyrazol-4-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 320.31 g/mol, XLogP of -0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-amino-1-(1-methylpyrazol-4-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 110204399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).