methyl 3-[(1-propylindazol-3-yl)amino]pyridine-4-carboxylate

C17H18N4O2 — CID 90216554

IUPACmethyl 3-[(1-propylindazol-3-yl)amino]pyridine-4-carboxylate
SMILESCCCn1nc(Nc2cnccc2C(=O)OC)c2ccccc21
InChIInChI=1S/C17H18N4O2/c1-3-10-21-15-7-5-4-6-13(15)16(20-21)19-14-11-18-9-8-12(14)17(22)23-2/h4-9,11H,3,10H2,1-2H3,(H,19,20)
InChIKeyXEHAGRMRZOSQSC-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.37
Rot. Bonds5

About methyl 3-[(1-propylindazol-3-yl)amino]pyridine-4-carboxylate

methyl 3-[(1-propylindazol-3-yl)amino]pyridine-4-carboxylate (PubChem CID 90216554) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is methyl 3-[(1-propylindazol-3-yl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(1-propylindazol-3-yl)amino]pyridine-4-carboxylate
PubChem CID90216554
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Namemethyl 3-[(1-propylindazol-3-yl)amino]pyridine-4-carboxylate
SMILESCCCn1nc(Nc2cnccc2C(=O)OC)c2ccccc21
InChIInChI=1S/C17H18N4O2/c1-3-10-21-15-7-5-4-6-13(15)16(20-21)19-14-11-18-9-8-12(14)17(22)23-2/h4-9,11H,3,10H2,1-2H3,(H,19,20)
InChIKeyXEHAGRMRZOSQSC-UHFFFAOYSA-N
XLogP3.37
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-propylindazol-3-yl)amino]pyridine-4-carboxylate?
The IUPAC name of methyl 3-[(1-propylindazol-3-yl)amino]pyridine-4-carboxylate (CID 90216554) is methyl 3-[(1-propylindazol-3-yl)amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-[(1-propylindazol-3-yl)amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-[(1-propylindazol-3-yl)amino]pyridine-4-carboxylate is CCCn1nc(Nc2cnccc2C(=O)OC)c2ccccc21.
What is the InChIKey of methyl 3-[(1-propylindazol-3-yl)amino]pyridine-4-carboxylate?
The InChIKey is XEHAGRMRZOSQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-3-10-21-15-7-5-4-6-13(15)16(20-21)19-14-11-18-9-8-12(14)17(22)23-2/h4-9,11H,3,10H2,1-2H3,(H,19,20).
What are the key properties of methyl 3-[(1-propylindazol-3-yl)amino]pyridine-4-carboxylate?
methyl 3-[(1-propylindazol-3-yl)amino]pyridine-4-carboxylate has a molecular weight of 310.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-propylindazol-3-yl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 90216554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).