N-[2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylamino]-2-oxoethyl]propanamide

C17H18FN3O3 — CID 51104118

IUPACN-[2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylamino]-2-oxoethyl]propanamide
SMILESCCC(=O)NCC(=O)NCc1ccnc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C17H18FN3O3/c1-2-15(22)21-11-16(23)20-10-12-7-8-19-17(9-12)24-14-5-3-13(18)4-6-14/h3-9H,2,10-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyDKPJILHCDMGIQU-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.16
Rot. Bonds7

About N-[2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylamino]-2-oxoethyl]propanamide

N-[2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylamino]-2-oxoethyl]propanamide (PubChem CID 51104118) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is N-[2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylamino]-2-oxoethyl]propanamide.

Molecular Properties

Compound NameN-[2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylamino]-2-oxoethyl]propanamide
PubChem CID51104118
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC NameN-[2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylamino]-2-oxoethyl]propanamide
SMILESCCC(=O)NCC(=O)NCc1ccnc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C17H18FN3O3/c1-2-15(22)21-11-16(23)20-10-12-7-8-19-17(9-12)24-14-5-3-13(18)4-6-14/h3-9H,2,10-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyDKPJILHCDMGIQU-UHFFFAOYSA-N
XLogP2.16
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 120703944
(2R)-2-(carbamoylamino)-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]propanamide
CID 95326110
(2S)-2-ethoxy-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]butanamide
CID 95155906
(2R)-2-ethoxy-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]butanamide
CID 95155907
1-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine
CID 111231831
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzamide
CID 55888466
1-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
CID 111001503
2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977242
2-(cyclopropylmethylamino)-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]acetamide
CID 119847908
4-amino-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]butanamide
CID 119847529
N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]hexanamide
CID 87005868
[2-(4-fluorophenoxy)-4-pyridinyl]methanol
CID 61257536

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylamino]-2-oxoethyl]propanamide?
The IUPAC name of N-[2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylamino]-2-oxoethyl]propanamide (CID 51104118) is N-[2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylamino]-2-oxoethyl]propanamide.
What is the SMILES notation for N-[2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylamino]-2-oxoethyl]propanamide?
The canonical SMILES for N-[2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylamino]-2-oxoethyl]propanamide is CCC(=O)NCC(=O)NCc1ccnc(Oc2ccc(F)cc2)c1.
What is the InChIKey of N-[2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylamino]-2-oxoethyl]propanamide?
The InChIKey is DKPJILHCDMGIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-2-15(22)21-11-16(23)20-10-12-7-8-19-17(9-12)24-14-5-3-13(18)4-6-14/h3-9H,2,10-11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylamino]-2-oxoethyl]propanamide?
N-[2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylamino]-2-oxoethyl]propanamide has a molecular weight of 331.35 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylamino]-2-oxoethyl]propanamide is sourced from PubChem (CID 51104118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).