2-[(2-methyl-5-phenylfuran-3-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid

C20H18N2O4 — CID 24805229

IUPAC2-[(2-methyl-5-phenylfuran-3-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid
SMILESCc1oc(-c2ccccc2)cc1C(=O)N(CC(=O)O)Cc1ccccn1
InChIInChI=1S/C20H18N2O4/c1-14-17(11-18(26-14)15-7-3-2-4-8-15)20(25)22(13-19(23)24)12-16-9-5-6-10-21-16/h2-11H,12-13H2,1H3,(H,23,24)
InChIKeyQUXDLFFUGPRTOT-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.38
Rot. Bonds6

About 2-[(2-methyl-5-phenylfuran-3-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid

2-[(2-methyl-5-phenylfuran-3-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid (PubChem CID 24805229) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-[(2-methyl-5-phenylfuran-3-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-methyl-5-phenylfuran-3-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid
PubChem CID24805229
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name2-[(2-methyl-5-phenylfuran-3-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid
SMILESCc1oc(-c2ccccc2)cc1C(=O)N(CC(=O)O)Cc1ccccn1
InChIInChI=1S/C20H18N2O4/c1-14-17(11-18(26-14)15-7-3-2-4-8-15)20(25)22(13-19(23)24)12-16-9-5-6-10-21-16/h2-11H,12-13H2,1H3,(H,23,24)
InChIKeyQUXDLFFUGPRTOT-UHFFFAOYSA-N
XLogP3.38
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-5-phenylfuran-3-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[(2-methyl-5-phenylfuran-3-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid (CID 24805229) is 2-[(2-methyl-5-phenylfuran-3-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-methyl-5-phenylfuran-3-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-methyl-5-phenylfuran-3-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid is Cc1oc(-c2ccccc2)cc1C(=O)N(CC(=O)O)Cc1ccccn1.
What is the InChIKey of 2-[(2-methyl-5-phenylfuran-3-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid?
The InChIKey is QUXDLFFUGPRTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-14-17(11-18(26-14)15-7-3-2-4-8-15)20(25)22(13-19(23)24)12-16-9-5-6-10-21-16/h2-11H,12-13H2,1H3,(H,23,24).
What are the key properties of 2-[(2-methyl-5-phenylfuran-3-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid?
2-[(2-methyl-5-phenylfuran-3-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid has a molecular weight of 350.37 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-5-phenylfuran-3-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid is sourced from PubChem (CID 24805229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).