ethyl 6-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carboxylate

C19H20N4O2 — CID 133411663

IUPACethyl 6-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCc2cccc(-c3cnn(C)c3)c2)nc1
InChIInChI=1S/C19H20N4O2/c1-3-25-19(24)16-7-8-18(21-11-16)20-10-14-5-4-6-15(9-14)17-12-22-23(2)13-17/h4-9,11-13H,3,10H2,1-2H3,(H,20,21)
InChIKeyXDXFEGQDAOFYDR-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.27
Rot. Bonds6

About ethyl 6-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carboxylate

ethyl 6-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carboxylate (PubChem CID 133411663) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is ethyl 6-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carboxylate
PubChem CID133411663
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Nameethyl 6-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCc2cccc(-c3cnn(C)c3)c2)nc1
InChIInChI=1S/C19H20N4O2/c1-3-25-19(24)16-7-8-18(21-11-16)20-10-14-5-4-6-15(9-14)17-12-22-23(2)13-17/h4-9,11-13H,3,10H2,1-2H3,(H,20,21)
InChIKeyXDXFEGQDAOFYDR-UHFFFAOYSA-N
XLogP3.27
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carboxylate (CID 133411663) is ethyl 6-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carboxylate is CCOC(=O)c1ccc(NCc2cccc(-c3cnn(C)c3)c2)nc1.
What is the InChIKey of ethyl 6-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carboxylate?
The InChIKey is XDXFEGQDAOFYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-3-25-19(24)16-7-8-18(21-11-16)20-10-14-5-4-6-15(9-14)17-12-22-23(2)13-17/h4-9,11-13H,3,10H2,1-2H3,(H,20,21).
What are the key properties of ethyl 6-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carboxylate?
ethyl 6-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carboxylate has a molecular weight of 336.40 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 133411663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).