N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-6-methyl-3-pyridinyl]methyl]ethanamine

C14H20N4O — CID 81346614

IUPACN-[[4-(2,5-dimethylpyrazol-3-yl)oxy-6-methyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(C)cc1Oc1cc(C)nn1C
InChIInChI=1S/C14H20N4O/c1-5-15-8-12-9-16-10(2)6-13(12)19-14-7-11(3)17-18(14)4/h6-7,9,15H,5,8H2,1-4H3
InChIKeyNDYRFRAVUPCHRG-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.33
Rot. Bonds5

About N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-6-methyl-3-pyridinyl]methyl]ethanamine

N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-6-methyl-3-pyridinyl]methyl]ethanamine (PubChem CID 81346614) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-6-methyl-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2,5-dimethylpyrazol-3-yl)oxy-6-methyl-3-pyridinyl]methyl]ethanamine
PubChem CID81346614
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[[4-(2,5-dimethylpyrazol-3-yl)oxy-6-methyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(C)cc1Oc1cc(C)nn1C
InChIInChI=1S/C14H20N4O/c1-5-15-8-12-9-16-10(2)6-13(12)19-14-7-11(3)17-18(14)4/h6-7,9,15H,5,8H2,1-4H3
InChIKeyNDYRFRAVUPCHRG-UHFFFAOYSA-N
XLogP2.33
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-6-methyl-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-6-methyl-3-pyridinyl]methyl]ethanamine (CID 81346614) is N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-6-methyl-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-6-methyl-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-6-methyl-3-pyridinyl]methyl]ethanamine is CCNCc1cnc(C)cc1Oc1cc(C)nn1C.
What is the InChIKey of N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-6-methyl-3-pyridinyl]methyl]ethanamine?
The InChIKey is NDYRFRAVUPCHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-5-15-8-12-9-16-10(2)6-13(12)19-14-7-11(3)17-18(14)4/h6-7,9,15H,5,8H2,1-4H3.
What are the key properties of N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-6-methyl-3-pyridinyl]methyl]ethanamine?
N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-6-methyl-3-pyridinyl]methyl]ethanamine has a molecular weight of 260.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-6-methyl-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 81346614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).