N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide

C19H19FN4O2 — CID 25281555

IUPACN-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)NCc2cccnc2Oc2ccccc2F)cn1
InChIInChI=1S/C19H19FN4O2/c1-24-13-14(11-23-24)8-9-18(25)22-12-15-5-4-10-21-19(15)26-17-7-3-2-6-16(17)20/h2-7,10-11,13H,8-9,12H2,1H3,(H,22,25)
InChIKeyCUFCNCODXHLZOY-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.00
Rot. Bonds7

About N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide

N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 25281555) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID25281555
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC NameN-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)NCc2cccnc2Oc2ccccc2F)cn1
InChIInChI=1S/C19H19FN4O2/c1-24-13-14(11-23-24)8-9-18(25)22-12-15-5-4-10-21-19(15)26-17-7-3-2-6-16(17)20/h2-7,10-11,13H,8-9,12H2,1H3,(H,22,25)
InChIKeyCUFCNCODXHLZOY-UHFFFAOYSA-N
XLogP3.00
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide (CID 25281555) is N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide is Cn1cc(CCC(=O)NCc2cccnc2Oc2ccccc2F)cn1.
What is the InChIKey of N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is CUFCNCODXHLZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-24-13-14(11-23-24)8-9-18(25)22-12-15-5-4-10-21-19(15)26-17-7-3-2-6-16(17)20/h2-7,10-11,13H,8-9,12H2,1H3,(H,22,25).
What are the key properties of N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide?
N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 354.39 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 25281555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).