2-[5-[(2,5-dimethylfuran-3-carbonyl)amino]-2-pyridinyl]acetic acid

C14H14N2O4 — CID 107338349

IUPAC2-[5-[(2,5-dimethylfuran-3-carbonyl)amino]-2-pyridinyl]acetic acid
SMILESCc1cc(C(=O)Nc2ccc(CC(=O)O)nc2)c(C)o1
InChIInChI=1S/C14H14N2O4/c1-8-5-12(9(2)20-8)14(19)16-11-4-3-10(15-7-11)6-13(17)18/h3-5,7H,6H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyHIUSKOVEIJJXIK-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.17
Rot. Bonds4

About 2-[5-[(2,5-dimethylfuran-3-carbonyl)amino]-2-pyridinyl]acetic acid

2-[5-[(2,5-dimethylfuran-3-carbonyl)amino]-2-pyridinyl]acetic acid (PubChem CID 107338349) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[5-[(2,5-dimethylfuran-3-carbonyl)amino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[(2,5-dimethylfuran-3-carbonyl)amino]-2-pyridinyl]acetic acid
PubChem CID107338349
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name2-[5-[(2,5-dimethylfuran-3-carbonyl)amino]-2-pyridinyl]acetic acid
SMILESCc1cc(C(=O)Nc2ccc(CC(=O)O)nc2)c(C)o1
InChIInChI=1S/C14H14N2O4/c1-8-5-12(9(2)20-8)14(19)16-11-4-3-10(15-7-11)6-13(17)18/h3-5,7H,6H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyHIUSKOVEIJJXIK-UHFFFAOYSA-N
XLogP2.17
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[(2,4-dimethylbenzoyl)amino]-2-pyridinyl]acetic acid
CID 107338774
2-[5-[(5-bromo-2-methylbenzoyl)amino]-2-pyridinyl]acetic acid
CID 107339399
2-[5-[(2-bromofuran-3-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107338762
2,5-dimethyl-N-(2-phenylpyrimidin-5-yl)furan-3-carboxamide
CID 134009194
N-[2-(dimethylamino)pyrimidin-5-yl]-2,5-dimethylfuran-3-carboxamide
CID 122297954
N-(2-ethoxypyrimidin-5-yl)-2,5-dimethylfuran-3-carboxamide
CID 122301975
2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107339518
2-[5-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107339195
N-(2-methoxypyrimidin-5-yl)-2,5-dimethylfuran-3-carboxamide
CID 122301541
2,5-dimethyl-N-pyridin-3-ylfuran-3-carboxamide
CID 1225414
2-[5-[(4-chloro-3-methylbenzoyl)amino]-2-pyridinyl]acetic acid
CID 107339418
2-[5-[(2-methylsulfanylpyridine-3-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107339030

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2,5-dimethylfuran-3-carbonyl)amino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[(2,5-dimethylfuran-3-carbonyl)amino]-2-pyridinyl]acetic acid (CID 107338349) is 2-[5-[(2,5-dimethylfuran-3-carbonyl)amino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[(2,5-dimethylfuran-3-carbonyl)amino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[(2,5-dimethylfuran-3-carbonyl)amino]-2-pyridinyl]acetic acid is Cc1cc(C(=O)Nc2ccc(CC(=O)O)nc2)c(C)o1.
What is the InChIKey of 2-[5-[(2,5-dimethylfuran-3-carbonyl)amino]-2-pyridinyl]acetic acid?
The InChIKey is HIUSKOVEIJJXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-8-5-12(9(2)20-8)14(19)16-11-4-3-10(15-7-11)6-13(17)18/h3-5,7H,6H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-[5-[(2,5-dimethylfuran-3-carbonyl)amino]-2-pyridinyl]acetic acid?
2-[5-[(2,5-dimethylfuran-3-carbonyl)amino]-2-pyridinyl]acetic acid has a molecular weight of 274.28 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2,5-dimethylfuran-3-carbonyl)amino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107338349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).