N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-6-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine

C16H24N4O — CID 81334032

IUPACN-[[4-(2,5-dimethylpyrazol-3-yl)oxy-6-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(Oc2cc(C)nn2C)c(CNCC(C)C)cn1
InChIInChI=1S/C16H24N4O/c1-11(2)8-17-9-14-10-18-12(3)6-15(14)21-16-7-13(4)19-20(16)5/h6-7,10-11,17H,8-9H2,1-5H3
InChIKeyVDVABTKROFVAIA-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.97
Rot. Bonds6

About N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-6-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-6-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 81334032) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-6-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(2,5-dimethylpyrazol-3-yl)oxy-6-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID81334032
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-[[4-(2,5-dimethylpyrazol-3-yl)oxy-6-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(Oc2cc(C)nn2C)c(CNCC(C)C)cn1
InChIInChI=1S/C16H24N4O/c1-11(2)8-17-9-14-10-18-12(3)6-15(14)21-16-7-13(4)19-20(16)5/h6-7,10-11,17H,8-9H2,1-5H3
InChIKeyVDVABTKROFVAIA-UHFFFAOYSA-N
XLogP2.97
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-6-methyl-3-pyridinyl]methyl]ethanamine
CID 81346614
2-methyl-N-[[6-methyl-4-(2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81253703
2-methyl-N-[[6-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]methyl]propan-1-amine
CID 115942783
2-methyl-N-[(6-methyl-4-phenylmethoxy-3-pyridinyl)methyl]propan-1-amine
CID 81255067
N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-3-pyridinyl]methyl]ethanamine
CID 81346536
2-methyl-N-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine
CID 81250974
2,6-dimethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82442625
N-[[4-(2-butoxyethoxy)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 81253479
2-methyl-N-[[6-methyl-4-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81253361
N-[(6-methyl-4-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 81253720
N-methyl-1-[6-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methanamine
CID 106597823
N-cyclopentyl-N-ethyl-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-amine
CID 81249270

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-6-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-6-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine (CID 81334032) is N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-6-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-6-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-6-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine is Cc1cc(Oc2cc(C)nn2C)c(CNCC(C)C)cn1.
What is the InChIKey of N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-6-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is VDVABTKROFVAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11(2)8-17-9-14-10-18-12(3)6-15(14)21-16-7-13(4)19-20(16)5/h6-7,10-11,17H,8-9H2,1-5H3.
What are the key properties of N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-6-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[4-(2,5-dimethylpyrazol-3-yl)oxy-6-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 288.39 g/mol, XLogP of 2.97, 6 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]-2-methylpropan-1-amine is sourced from PubChem (CID 81334032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).