4-amino-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-methoxybutanamide

C17H20FN3O3 — CID 120595328

IUPAC4-amino-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCc1cccnc1Oc1cccc(F)c1
InChIInChI=1S/C17H20FN3O3/c1-23-15(10-19)9-16(22)21-11-12-4-3-7-20-17(12)24-14-6-2-5-13(18)8-14/h2-8,15H,9-11,19H2,1H3,(H,21,22)
InChIKeyBDRHUQPICBOJCA-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.99
Rot. Bonds8

About 4-amino-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-methoxybutanamide

4-amino-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-methoxybutanamide (PubChem CID 120595328) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 4-amino-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-methoxybutanamide
PubChem CID120595328
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name4-amino-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCc1cccnc1Oc1cccc(F)c1
InChIInChI=1S/C17H20FN3O3/c1-23-15(10-19)9-16(22)21-11-12-4-3-7-20-17(12)24-14-6-2-5-13(18)8-14/h2-8,15H,9-11,19H2,1H3,(H,21,22)
InChIKeyBDRHUQPICBOJCA-UHFFFAOYSA-N
XLogP1.99
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-methoxy-N-[[2-(3-methylsulfonylphenoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride
CID 120597184
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 119847870
N-[2-[[2-(3-fluorophenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 55837977
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119847855
3-amino-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
CID 56738760
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-1H-indole-3-carboxamide
CID 60553697
4-amino-N-[2-(3-fluorophenoxy)propyl]-3-methoxybutanamide
CID 120593422
2-[(4-chlorophenyl)methylsulfanyl]-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]acetamide
CID 55692937
(E)-4-(dimethylamino)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]but-2-enamide
CID 146100901
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]methanesulfonamide
CID 39660247
(2S)-3-amino-2-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 95211503
3-amino-2-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 56752710

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-methoxybutanamide (CID 120595328) is 4-amino-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-methoxybutanamide is COC(CN)CC(=O)NCc1cccnc1Oc1cccc(F)c1.
What is the InChIKey of 4-amino-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-methoxybutanamide?
The InChIKey is BDRHUQPICBOJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-23-15(10-19)9-16(22)21-11-12-4-3-7-20-17(12)24-14-6-2-5-13(18)8-14/h2-8,15H,9-11,19H2,1H3,(H,21,22).
What are the key properties of 4-amino-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-methoxybutanamide?
4-amino-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-methoxybutanamide has a molecular weight of 333.36 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-methoxybutanamide is sourced from PubChem (CID 120595328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).