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

C18H21N3O3 — CID 122053861

IUPAC6-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]pyridine-2-carboxylic acid
SMILESCOc1cccc(N2CCCC(Nc3cccc(C(=O)O)n3)C2)c1
InChIInChI=1S/C18H21N3O3/c1-24-15-7-2-6-14(11-15)21-10-4-5-13(12-21)19-17-9-3-8-16(20-17)18(22)23/h2-3,6-9,11,13H,4-5,10,12H2,1H3,(H,19,20)(H,22,23)
InChIKeyRKMKQDPESOEGFK-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.87
Rot. Bonds5

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

6-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]pyridine-2-carboxylic acid (PubChem CID 122053861) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 6-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]pyridine-2-carboxylic acid
PubChem CID122053861
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name6-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]pyridine-2-carboxylic acid
SMILESCOc1cccc(N2CCCC(Nc3cccc(C(=O)O)n3)C2)c1
InChIInChI=1S/C18H21N3O3/c1-24-15-7-2-6-14(11-15)21-10-4-5-13(12-21)19-17-9-3-8-16(20-17)18(22)23/h2-3,6-9,11,13H,4-5,10,12H2,1H3,(H,19,20)(H,22,23)
InChIKeyRKMKQDPESOEGFK-UHFFFAOYSA-N
XLogP2.87
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide
CID 53318242
2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 119884236
2-cyclopropyl-2-methoxy-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 136538572
N-[1-(3-methoxyphenyl)piperidin-3-yl]methanesulfonamide
CID 56791986
4-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]quinazoline-8-carboxamide
CID 142798674
3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]butanamide
CID 119884246
1-[(1-acetylpiperidin-4-yl)methyl]-3-[1-(3-methoxyphenyl)piperidin-3-yl]urea
CID 136526374
(2S,3R)-2-ethyl-3-hydroxy-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]butanamide
CID 124861385
N-[1-(3-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 136569003
3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide
CID 119884210
N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]-2-(3-methyl-4-pyridinyl)acetamide
CID 124618191
2-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]acetic acid
CID 117004204

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]pyridine-2-carboxylic acid (CID 122053861) is 6-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]pyridine-2-carboxylic acid is COc1cccc(N2CCCC(Nc3cccc(C(=O)O)n3)C2)c1.
What is the InChIKey of 6-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]pyridine-2-carboxylic acid?
The InChIKey is RKMKQDPESOEGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-24-15-7-2-6-14(11-15)21-10-4-5-13(12-21)19-17-9-3-8-16(20-17)18(22)23/h2-3,6-9,11,13H,4-5,10,12H2,1H3,(H,19,20)(H,22,23).
What are the key properties of 6-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]pyridine-2-carboxylic acid?
6-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]pyridine-2-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122053861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).