2-[1-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]amino]cyclobutyl]acetic acid

C17H18N2O4 — CID 120521980

IUPAC2-[1-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]amino]cyclobutyl]acetic acid
SMILESCc1nc(-c2ccco2)ccc1C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C17H18N2O4/c1-11-12(5-6-13(18-11)14-4-2-9-23-14)16(22)19-17(7-3-8-17)10-15(20)21/h2,4-6,9H,3,7-8,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyVGDFJHUAEVOGFB-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.78
Rot. Bonds5

About 2-[1-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]amino]cyclobutyl]acetic acid

2-[1-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]amino]cyclobutyl]acetic acid (PubChem CID 120521980) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-[1-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]amino]cyclobutyl]acetic acid
PubChem CID120521980
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name2-[1-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]amino]cyclobutyl]acetic acid
SMILESCc1nc(-c2ccco2)ccc1C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C17H18N2O4/c1-11-12(5-6-13(18-11)14-4-2-9-23-14)16(22)19-17(7-3-8-17)10-15(20)21/h2,4-6,9H,3,7-8,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyVGDFJHUAEVOGFB-UHFFFAOYSA-N
XLogP2.78
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclobutyl]acetic acid
CID 119218100
6-(furan-2-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]-2-methylpyridine-3-carboxamide
CID 95286219
6-(furan-2-yl)-2-methyl-N-[3-(methylamino)propyl]pyridine-3-carboxamide
CID 119430450
6-(furan-2-yl)-2-methyl-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 119500830
2-[1-[(2-methylfuran-3-carbonyl)amino]cyclohexyl]acetic acid
CID 64671935
N-(3-aminobutyl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide
CID 119495808
1-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120539861
6-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-2-methylpyridine-3-carboxamide
CID 110922170
2-[1-[(3-hydroxy-2-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 82826485
2-[1-[(2-fluoro-3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 81480559
2-[1-[1-(furan-2-yl)ethylcarbamoylamino]cyclobutyl]acetic acid
CID 79851604
2-[1-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclobutyl]acetic acid
CID 119217971

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]amino]cyclobutyl]acetic acid (CID 120521980) is 2-[1-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]amino]cyclobutyl]acetic acid is Cc1nc(-c2ccco2)ccc1C(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]amino]cyclobutyl]acetic acid?
The InChIKey is VGDFJHUAEVOGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11-12(5-6-13(18-11)14-4-2-9-23-14)16(22)19-17(7-3-8-17)10-15(20)21/h2,4-6,9H,3,7-8,10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-[1-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]amino]cyclobutyl]acetic acid?
2-[1-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]amino]cyclobutyl]acetic acid has a molecular weight of 314.34 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 120521980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).