2-methyl-N-[[2-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-2-amine

C14H20N4O — CID 116793343

IUPAC2-methyl-N-[[2-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-2-amine
SMILESCn1cc(Oc2ncccc2CNC(C)(C)C)cn1
InChIInChI=1S/C14H20N4O/c1-14(2,3)16-8-11-6-5-7-15-13(11)19-12-9-17-18(4)10-12/h5-7,9-10,16H,8H2,1-4H3
InChIKeySRHUSBMOFJNOSX-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.50
Rot. Bonds4

About 2-methyl-N-[[2-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-2-amine

2-methyl-N-[[2-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-2-amine (PubChem CID 116793343) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-methyl-N-[[2-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-2-amine
PubChem CID116793343
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-methyl-N-[[2-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-2-amine
SMILESCn1cc(Oc2ncccc2CNC(C)(C)C)cn1
InChIInChI=1S/C14H20N4O/c1-14(2,3)16-8-11-6-5-7-15-13(11)19-12-9-17-18(4)10-12/h5-7,9-10,16H,8H2,1-4H3
InChIKeySRHUSBMOFJNOSX-UHFFFAOYSA-N
XLogP2.50
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-2-amine (CID 116793343) is 2-methyl-N-[[2-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-2-amine is Cn1cc(Oc2ncccc2CNC(C)(C)C)cn1.
What is the InChIKey of 2-methyl-N-[[2-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is SRHUSBMOFJNOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-14(2,3)16-8-11-6-5-7-15-13(11)19-12-9-17-18(4)10-12/h5-7,9-10,16H,8H2,1-4H3.
What are the key properties of 2-methyl-N-[[2-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-2-amine?
2-methyl-N-[[2-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 260.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 116793343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).