ethyl 6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylate

C15H20N4O2 — CID 79034168

IUPACethyl 6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCc2c(C)nn(C)c2C)nc1
InChIInChI=1S/C15H20N4O2/c1-5-21-15(20)12-6-7-14(16-8-12)17-9-13-10(2)18-19(4)11(13)3/h6-8H,5,9H2,1-4H3,(H,16,17)
InChIKeyBIWVXGYTHFGLHV-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.22
Rot. Bonds5

About ethyl 6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylate

ethyl 6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylate (PubChem CID 79034168) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is ethyl 6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylate
PubChem CID79034168
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Nameethyl 6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCc2c(C)nn(C)c2C)nc1
InChIInChI=1S/C15H20N4O2/c1-5-21-15(20)12-6-7-14(16-8-12)17-9-13-10(2)18-19(4)11(13)3/h6-8H,5,9H2,1-4H3,(H,16,17)
InChIKeyBIWVXGYTHFGLHV-UHFFFAOYSA-N
XLogP2.22
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylate
CID 115990559
ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate
CID 61166664
ethyl 6-(1,3-thiazol-5-ylmethylamino)pyridine-3-carboxylate
CID 104577452
5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine
CID 78990691
ethyl 6-[[3-(diethylamino)-3-oxopropyl]amino]pyridine-3-carboxylate
CID 60926074
ethyl 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-3-carboxylate
CID 106400737
ethyl 6-(1,2-oxazol-3-ylmethylamino)pyridine-3-carboxylate
CID 79492611
ethyl 6-[(3-amino-3-oxopropyl)amino]pyridine-3-carboxylate
CID 43532828
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide
CID 28614415
ethyl 6-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
CID 43243884
ethyl 6-[(2-methoxynaphthalen-1-yl)methylamino]pyridine-3-carboxylate
CID 36727184
1-[[(5-ethoxycarbonyl-2-pyridinyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450434

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylate (CID 79034168) is ethyl 6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylate is CCOC(=O)c1ccc(NCc2c(C)nn(C)c2C)nc1.
What is the InChIKey of ethyl 6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylate?
The InChIKey is BIWVXGYTHFGLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-5-21-15(20)12-6-7-14(16-8-12)17-9-13-10(2)18-19(4)11(13)3/h6-8H,5,9H2,1-4H3,(H,16,17).
What are the key properties of ethyl 6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylate?
ethyl 6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 79034168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).