2-(3-fluorophenoxy)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide

C20H25FN4O2 — CID 86984881

IUPAC2-(3-fluorophenoxy)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide
SMILESCC(Oc1cccc(F)c1)C(=O)NCc1ccc(N2CCN(C)CC2)nc1
InChIInChI=1S/C20H25FN4O2/c1-15(27-18-5-3-4-17(21)12-18)20(26)23-14-16-6-7-19(22-13-16)25-10-8-24(2)9-11-25/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,23,26)
InChIKeyQLFNRAXOKHESIF-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.06
Rot. Bonds6

About 2-(3-fluorophenoxy)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide

2-(3-fluorophenoxy)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide (PubChem CID 86984881) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide
PubChem CID86984881
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name2-(3-fluorophenoxy)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide
SMILESCC(Oc1cccc(F)c1)C(=O)NCc1ccc(N2CCN(C)CC2)nc1
InChIInChI=1S/C20H25FN4O2/c1-15(27-18-5-3-4-17(21)12-18)20(26)23-14-16-6-7-19(22-13-16)25-10-8-24(2)9-11-25/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,23,26)
InChIKeyQLFNRAXOKHESIF-UHFFFAOYSA-N
XLogP2.06
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluorophenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide
CID 86995978
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenoxypropanamide
CID 18145200
(2R)-2-(3-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 31882488
3-amino-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]butanamide;trihydrochloride
CID 120504383
1-[2-(3-fluorophenoxy)propyl]-2-methyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 111681188
(2R)-2-(3-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 7834533
1-(4-fluoro-2-methylphenyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea
CID 86987548
2-(4-fluorophenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
CID 56919529
2-(3-fluorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide
CID 43992084
2-(3,4-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 55911620
2-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylpropanamide;trihydrochloride
CID 119901240
2-methoxy-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 47303387

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide (CID 86984881) is 2-(3-fluorophenoxy)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide is CC(Oc1cccc(F)c1)C(=O)NCc1ccc(N2CCN(C)CC2)nc1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide?
The InChIKey is QLFNRAXOKHESIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-15(27-18-5-3-4-17(21)12-18)20(26)23-14-16-6-7-19(22-13-16)25-10-8-24(2)9-11-25/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,23,26).
What are the key properties of 2-(3-fluorophenoxy)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide?
2-(3-fluorophenoxy)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide has a molecular weight of 372.44 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 86984881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).