(3R)-3-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoic acid

C19H22N2O4 — CID 124883319

IUPAC(3R)-3-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoic acid
SMILESCCC[C@H](CC(=O)O)NC(=O)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C19H22N2O4/c1-2-5-16(11-18(22)23)21-19(24)15-7-3-8-17(10-15)25-13-14-6-4-9-20-12-14/h3-4,6-10,12,16H,2,5,11,13H2,1H3,(H,21,24)(H,22,23)/t16-/m1/s1
InChIKeyHYIPTKSNTIXMMY-MRXNPFEDSA-N
MW342.40 g/mol
LogP3.03
Rot. Bonds9

About (3R)-3-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoic acid

(3R)-3-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoic acid (PubChem CID 124883319) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is (3R)-3-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoic acid.

Molecular Properties

Compound Name(3R)-3-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoic acid
PubChem CID124883319
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name(3R)-3-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoic acid
SMILESCCC[C@H](CC(=O)O)NC(=O)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C19H22N2O4/c1-2-5-16(11-18(22)23)21-19(24)15-7-3-8-17(10-15)25-13-14-6-4-9-20-12-14/h3-4,6-10,12,16H,2,5,11,13H2,1H3,(H,21,24)(H,22,23)/t16-/m1/s1
InChIKeyHYIPTKSNTIXMMY-MRXNPFEDSA-N
XLogP3.03
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid
CID 146099236
N-[(1R)-1-cyano-2-methylpropyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 86815583
3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid
CID 146099183
N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide
CID 146154896
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
N-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 119506040
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55776871
N-[1-(3-acetamidophenyl)ethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55774349
N'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide
CID 78888043
N-(2-hydroxy-2,3-dimethylbutyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 111483720
N-[3-(aminomethyl)pentan-3-yl]-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride
CID 119569679
N-[4-(ethylsulfonylamino)phenyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55960984

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoic acid?
The IUPAC name of (3R)-3-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoic acid (CID 124883319) is (3R)-3-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoic acid.
What is the SMILES notation for (3R)-3-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoic acid?
The canonical SMILES for (3R)-3-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoic acid is CCC[C@H](CC(=O)O)NC(=O)c1cccc(OCc2cccnc2)c1.
What is the InChIKey of (3R)-3-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoic acid?
The InChIKey is HYIPTKSNTIXMMY-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-2-5-16(11-18(22)23)21-19(24)15-7-3-8-17(10-15)25-13-14-6-4-9-20-12-14/h3-4,6-10,12,16H,2,5,11,13H2,1H3,(H,21,24)(H,22,23)/t16-/m1/s1.
What are the key properties of (3R)-3-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoic acid?
(3R)-3-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoic acid has a molecular weight of 342.40 g/mol, XLogP of 3.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoic acid is sourced from PubChem (CID 124883319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).