2-[(3R)-3-(3-amino-3-oxopropyl)piperidin-1-yl]-6-(4-methoxyphenyl)pyridine-3-carboxylic acid

C21H25N3O4 — CID 171359553

IUPAC2-[(3R)-3-(3-amino-3-oxopropyl)piperidin-1-yl]-6-(4-methoxyphenyl)pyridine-3-carboxylic acid
SMILESCOc1ccc(-c2ccc(C(=O)O)c(N3CCC[C@H](CCC(N)=O)C3)n2)cc1
InChIInChI=1S/C21H25N3O4/c1-28-16-7-5-15(6-8-16)18-10-9-17(21(26)27)20(23-18)24-12-2-3-14(13-24)4-11-19(22)25/h5-10,14H,2-4,11-13H2,1H3,(H2,22,25)(H,26,27)/t14-/m1/s1
InChIKeyYGIVYTZCLMYLNH-CQSZACIVSA-N
MW383.45 g/mol
LogP2.94
Rot. Bonds7

About 2-[(3R)-3-(3-amino-3-oxopropyl)piperidin-1-yl]-6-(4-methoxyphenyl)pyridine-3-carboxylic acid

2-[(3R)-3-(3-amino-3-oxopropyl)piperidin-1-yl]-6-(4-methoxyphenyl)pyridine-3-carboxylic acid (PubChem CID 171359553) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-[(3R)-3-(3-amino-3-oxopropyl)piperidin-1-yl]-6-(4-methoxyphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3R)-3-(3-amino-3-oxopropyl)piperidin-1-yl]-6-(4-methoxyphenyl)pyridine-3-carboxylic acid
PubChem CID171359553
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name2-[(3R)-3-(3-amino-3-oxopropyl)piperidin-1-yl]-6-(4-methoxyphenyl)pyridine-3-carboxylic acid
SMILESCOc1ccc(-c2ccc(C(=O)O)c(N3CCC[C@H](CCC(N)=O)C3)n2)cc1
InChIInChI=1S/C21H25N3O4/c1-28-16-7-5-15(6-8-16)18-10-9-17(21(26)27)20(23-18)24-12-2-3-14(13-24)4-11-19(22)25/h5-10,14H,2-4,11-13H2,1H3,(H2,22,25)(H,26,27)/t14-/m1/s1
InChIKeyYGIVYTZCLMYLNH-CQSZACIVSA-N
XLogP2.94
TPSA105.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3R)-3-(3-amino-3-oxopropyl)piperidin-1-yl]-6-(4-methoxyphenyl)pyridine-3-carboxylic acid with MolForge

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Related Compounds

2-[3a-[(dimethylamino)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-6-(4-methoxyphenyl)pyridine-3-carboxylic acid;dihydrochloride
CID 154917186
6-chloro-2-[3-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 55183258
2-[3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110258537
3-[1-(6-methylpyrazin-2-yl)piperidin-3-yl]propanamide
CID 133469915
3-[1-(1H-benzimidazol-2-yl)piperidin-3-yl]propanamide
CID 133410055
3-[1-(4-methoxyphenyl)pyrrolidin-3-yl]propanoic acid
CID 83981160
3-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]propanamide
CID 133294209
6-(4-methoxyphenyl)pyridine-2,3-dicarboxylic acid
CID 16637669
[2-amino-6-(4-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 83571284
3-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]propanamide
CID 72927654
3-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]propanoic acid
CID 124689327
3-[1-(2-amino-5-butyl-6-methylpyrimidin-4-yl)piperidin-3-yl]propanamide
CID 72939716

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(3-amino-3-oxopropyl)piperidin-1-yl]-6-(4-methoxyphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-[(3R)-3-(3-amino-3-oxopropyl)piperidin-1-yl]-6-(4-methoxyphenyl)pyridine-3-carboxylic acid (CID 171359553) is 2-[(3R)-3-(3-amino-3-oxopropyl)piperidin-1-yl]-6-(4-methoxyphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(3R)-3-(3-amino-3-oxopropyl)piperidin-1-yl]-6-(4-methoxyphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(3R)-3-(3-amino-3-oxopropyl)piperidin-1-yl]-6-(4-methoxyphenyl)pyridine-3-carboxylic acid is COc1ccc(-c2ccc(C(=O)O)c(N3CCC[C@H](CCC(N)=O)C3)n2)cc1.
What is the InChIKey of 2-[(3R)-3-(3-amino-3-oxopropyl)piperidin-1-yl]-6-(4-methoxyphenyl)pyridine-3-carboxylic acid?
The InChIKey is YGIVYTZCLMYLNH-CQSZACIVSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-28-16-7-5-15(6-8-16)18-10-9-17(21(26)27)20(23-18)24-12-2-3-14(13-24)4-11-19(22)25/h5-10,14H,2-4,11-13H2,1H3,(H2,22,25)(H,26,27)/t14-/m1/s1.
What are the key properties of 2-[(3R)-3-(3-amino-3-oxopropyl)piperidin-1-yl]-6-(4-methoxyphenyl)pyridine-3-carboxylic acid?
2-[(3R)-3-(3-amino-3-oxopropyl)piperidin-1-yl]-6-(4-methoxyphenyl)pyridine-3-carboxylic acid has a molecular weight of 383.45 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(3-amino-3-oxopropyl)piperidin-1-yl]-6-(4-methoxyphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 171359553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).