2-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methylpentanamide

C17H20FN3O2 — CID 119849108

IUPAC2-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C17H20FN3O2/c1-3-11(2)16(19)17(22)21-13-6-9-15(20-10-13)23-14-7-4-12(18)5-8-14/h4-11,16H,3,19H2,1-2H3,(H,21,22)
InChIKeyAVNOIEWGDPCLJD-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.32
Rot. Bonds6

About 2-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methylpentanamide

2-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methylpentanamide (PubChem CID 119849108) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methylpentanamide
PubChem CID119849108
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name2-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C17H20FN3O2/c1-3-11(2)16(19)17(22)21-13-6-9-15(20-10-13)23-14-7-4-12(18)5-8-14/h4-11,16H,3,19H2,1-2H3,(H,21,22)
InChIKeyAVNOIEWGDPCLJD-UHFFFAOYSA-N
XLogP3.32
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide;dihydrochloride
CID 119849169
(2S)-2-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide
CID 6930724
(2S,3S)-2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpentanamide
CID 61178172
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxybutanamide
CID 110179642
(2S)-2-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]butanamide
CID 119847800
4-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methoxybutanamide
CID 120595374
(2S)-2-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-4-methylpentanamide;dihydrochloride
CID 119893859
3-amino-2-methyl-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]butanamide
CID 120503762
3-amino-2-methyl-N-(6-phenoxy-3-pyridinyl)butanamide
CID 120502960
(2S)-2-amino-4-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide
CID 119849184
3-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide
CID 119852373
ethyl N-[6-[4-(ethoxycarbonylamino)phenoxy]-3-pyridinyl]carbamate
CID 110176757

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methylpentanamide (CID 119849108) is 2-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methylpentanamide is CCC(C)C(N)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1.
What is the InChIKey of 2-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methylpentanamide?
The InChIKey is AVNOIEWGDPCLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-3-11(2)16(19)17(22)21-13-6-9-15(20-10-13)23-14-7-4-12(18)5-8-14/h4-11,16H,3,19H2,1-2H3,(H,21,22).
What are the key properties of 2-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methylpentanamide?
2-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methylpentanamide has a molecular weight of 317.36 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methylpentanamide is sourced from PubChem (CID 119849108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).