2-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-6-phenylpyridine-3-carboxylic acid

C18H21N3O3 — CID 56870009

IUPAC2-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-6-phenylpyridine-3-carboxylic acid
SMILESCO[C@H]1CN(c2nc(-c3ccccc3)ccc2C(=O)O)CC[C@H]1N
InChIInChI=1S/C18H21N3O3/c1-24-16-11-21(10-9-14(16)19)17-13(18(22)23)7-8-15(20-17)12-5-3-2-4-6-12/h2-8,14,16H,9-11,19H2,1H3,(H,22,23)/t14-,16+/m1/s1
InChIKeyLYQBSSYJQFMPGH-ZBFHGGJFSA-N
MW327.38 g/mol
LogP2.00
Rot. Bonds4

About 2-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-6-phenylpyridine-3-carboxylic acid

2-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-6-phenylpyridine-3-carboxylic acid (PubChem CID 56870009) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-6-phenylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-6-phenylpyridine-3-carboxylic acid
PubChem CID56870009
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-6-phenylpyridine-3-carboxylic acid
SMILESCO[C@H]1CN(c2nc(-c3ccccc3)ccc2C(=O)O)CC[C@H]1N
InChIInChI=1S/C18H21N3O3/c1-24-16-11-21(10-9-14(16)19)17-13(18(22)23)7-8-15(20-17)12-5-3-2-4-6-12/h2-8,14,16H,9-11,19H2,1H3,(H,22,23)/t14-,16+/m1/s1
InChIKeyLYQBSSYJQFMPGH-ZBFHGGJFSA-N
XLogP2.00
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-6-phenylpyridine-3-carboxylic acid?
The IUPAC name of 2-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-6-phenylpyridine-3-carboxylic acid (CID 56870009) is 2-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-6-phenylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-6-phenylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-6-phenylpyridine-3-carboxylic acid is CO[C@H]1CN(c2nc(-c3ccccc3)ccc2C(=O)O)CC[C@H]1N.
What is the InChIKey of 2-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-6-phenylpyridine-3-carboxylic acid?
The InChIKey is LYQBSSYJQFMPGH-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-24-16-11-21(10-9-14(16)19)17-13(18(22)23)7-8-15(20-17)12-5-3-2-4-6-12/h2-8,14,16H,9-11,19H2,1H3,(H,22,23)/t14-,16+/m1/s1.
What are the key properties of 2-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-6-phenylpyridine-3-carboxylic acid?
2-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-6-phenylpyridine-3-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-6-phenylpyridine-3-carboxylic acid is sourced from PubChem (CID 56870009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).