propan-2-yl 3-amino-2-(1-methylpyrazol-4-yl)pyridine-4-carboxylate

C13H16N4O2 — CID 102854164

IUPACpropan-2-yl 3-amino-2-(1-methylpyrazol-4-yl)pyridine-4-carboxylate
SMILESCC(C)OC(=O)c1ccnc(-c2cnn(C)c2)c1N
InChIInChI=1S/C13H16N4O2/c1-8(2)19-13(18)10-4-5-15-12(11(10)14)9-6-16-17(3)7-9/h4-8H,14H2,1-3H3
InChIKeyRBSOGTANLMYXDM-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.63
Rot. Bonds3

About propan-2-yl 3-amino-2-(1-methylpyrazol-4-yl)pyridine-4-carboxylate

propan-2-yl 3-amino-2-(1-methylpyrazol-4-yl)pyridine-4-carboxylate (PubChem CID 102854164) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is propan-2-yl 3-amino-2-(1-methylpyrazol-4-yl)pyridine-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-amino-2-(1-methylpyrazol-4-yl)pyridine-4-carboxylate
PubChem CID102854164
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Namepropan-2-yl 3-amino-2-(1-methylpyrazol-4-yl)pyridine-4-carboxylate
SMILESCC(C)OC(=O)c1ccnc(-c2cnn(C)c2)c1N
InChIInChI=1S/C13H16N4O2/c1-8(2)19-13(18)10-4-5-15-12(11(10)14)9-6-16-17(3)7-9/h4-8H,14H2,1-3H3
InChIKeyRBSOGTANLMYXDM-UHFFFAOYSA-N
XLogP1.63
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-amino-2-(1-methylpyrazol-4-yl)pyridine-4-carboxylate?
The IUPAC name of propan-2-yl 3-amino-2-(1-methylpyrazol-4-yl)pyridine-4-carboxylate (CID 102854164) is propan-2-yl 3-amino-2-(1-methylpyrazol-4-yl)pyridine-4-carboxylate.
What is the SMILES notation for propan-2-yl 3-amino-2-(1-methylpyrazol-4-yl)pyridine-4-carboxylate?
The canonical SMILES for propan-2-yl 3-amino-2-(1-methylpyrazol-4-yl)pyridine-4-carboxylate is CC(C)OC(=O)c1ccnc(-c2cnn(C)c2)c1N.
What is the InChIKey of propan-2-yl 3-amino-2-(1-methylpyrazol-4-yl)pyridine-4-carboxylate?
The InChIKey is RBSOGTANLMYXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8(2)19-13(18)10-4-5-15-12(11(10)14)9-6-16-17(3)7-9/h4-8H,14H2,1-3H3.
What are the key properties of propan-2-yl 3-amino-2-(1-methylpyrazol-4-yl)pyridine-4-carboxylate?
propan-2-yl 3-amino-2-(1-methylpyrazol-4-yl)pyridine-4-carboxylate has a molecular weight of 260.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-amino-2-(1-methylpyrazol-4-yl)pyridine-4-carboxylate is sourced from PubChem (CID 102854164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).