1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-2-carboxylic acid

C17H18N2O4 — CID 102553983

IUPAC1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-2-carboxylic acid
SMILESCc1nc(-c2ccco2)ccc1C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C17H18N2O4/c1-11-12(7-8-13(18-11)15-6-4-10-23-15)16(20)19-9-3-2-5-14(19)17(21)22/h4,6-8,10,14H,2-3,5,9H2,1H3,(H,21,22)
InChIKeyXFRHEKHLBSNTJG-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.73
Rot. Bonds3

About 1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-2-carboxylic acid

1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-2-carboxylic acid (PubChem CID 102553983) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-2-carboxylic acid
PubChem CID102553983
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-2-carboxylic acid
SMILESCc1nc(-c2ccco2)ccc1C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C17H18N2O4/c1-11-12(7-8-13(18-11)15-6-4-10-23-15)16(20)19-9-3-2-5-14(19)17(21)22/h4,6-8,10,14H,2-3,5,9H2,1H3,(H,21,22)
InChIKeyXFRHEKHLBSNTJG-UHFFFAOYSA-N
XLogP2.73
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 99718288
(2R)-1-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 120537434
1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid
CID 119137791
[(3R)-3-aminopyrrolidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone
CID 119410101
(2S)-1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365882
[4-(1-aminoethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone
CID 119517591
[6-(furan-2-yl)-2-methyl-3-pyridinyl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 95296331
(4-amino-3,3-dimethylpiperidin-1-yl)-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride
CID 120818933
(2R)-1-(2-chlorofuran-3-carbonyl)piperidine-2-carboxylic acid
CID 106683530
(2S,4S)-1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-4-methoxypyrrolidine-2-carboxamide
CID 128990410
1-(2-methylbenzoyl)azepane-2-carboxylic acid
CID 64559546
[4-(ethylaminomethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride
CID 119645055

Frequently Asked Questions

What is the IUPAC name of 1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-2-carboxylic acid (CID 102553983) is 1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-2-carboxylic acid is Cc1nc(-c2ccco2)ccc1C(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-2-carboxylic acid?
The InChIKey is XFRHEKHLBSNTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11-12(7-8-13(18-11)15-6-4-10-23-15)16(20)19-9-3-2-5-14(19)17(21)22/h4,6-8,10,14H,2-3,5,9H2,1H3,(H,21,22).
What are the key properties of 1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-2-carboxylic acid?
1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-2-carboxylic acid has a molecular weight of 314.34 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 102553983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).