[2-(methylamino)-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate

C14H15ClN4O3 — CID 2108762

IUPAC[2-(methylamino)-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
SMILESCNC(=O)COC(=O)c1nc(-n2nc(C)cc2C)ccc1Cl
InChIInChI=1S/C14H15ClN4O3/c1-8-6-9(2)19(18-8)11-5-4-10(15)13(17-11)14(21)22-7-12(20)16-3/h4-6H,7H2,1-3H3,(H,16,20)
InChIKeyMKPDELGXEFROHD-UHFFFAOYSA-N
MW322.75 g/mol
LogP1.44
Rot. Bonds4

About [2-(methylamino)-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate

[2-(methylamino)-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate (PubChem CID 2108762) has the molecular formula C14H15ClN4O3 and a molecular weight of 322.75 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
PubChem CID2108762
Molecular FormulaC14H15ClN4O3
Molecular Weight322.75 g/mol
Exact Mass322.08
IUPAC Name[2-(methylamino)-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
SMILESCNC(=O)COC(=O)c1nc(-n2nc(C)cc2C)ccc1Cl
InChIInChI=1S/C14H15ClN4O3/c1-8-6-9(2)19(18-8)11-5-4-10(15)13(17-11)14(21)22-7-12(20)16-3/h4-6H,7H2,1-3H3,(H,16,20)
InChIKeyMKPDELGXEFROHD-UHFFFAOYSA-N
XLogP1.44
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate (CID 2108762) is [2-(methylamino)-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate is CNC(=O)COC(=O)c1nc(-n2nc(C)cc2C)ccc1Cl.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate?
The InChIKey is MKPDELGXEFROHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O3/c1-8-6-9(2)19(18-8)11-5-4-10(15)13(17-11)14(21)22-7-12(20)16-3/h4-6H,7H2,1-3H3,(H,16,20).
What are the key properties of [2-(methylamino)-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate?
[2-(methylamino)-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate has a molecular weight of 322.75 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate is sourced from PubChem (CID 2108762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).