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

C19H16N2O4 — CID 24805062

IUPAC2-[(5-phenylfuran-2-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid
SMILESO=C(O)CN(Cc1ccccn1)C(=O)c1ccc(-c2ccccc2)o1
InChIInChI=1S/C19H16N2O4/c22-18(23)13-21(12-15-8-4-5-11-20-15)19(24)17-10-9-16(25-17)14-6-2-1-3-7-14/h1-11H,12-13H2,(H,22,23)
InChIKeyHMSBOFXEXVEIMW-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.07
Rot. Bonds6

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

2-[(5-phenylfuran-2-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid (PubChem CID 24805062) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-[(5-phenylfuran-2-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-phenylfuran-2-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid
PubChem CID24805062
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name2-[(5-phenylfuran-2-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid
SMILESO=C(O)CN(Cc1ccccn1)C(=O)c1ccc(-c2ccccc2)o1
InChIInChI=1S/C19H16N2O4/c22-18(23)13-21(12-15-8-4-5-11-20-15)19(24)17-10-9-16(25-17)14-6-2-1-3-7-14/h1-11H,12-13H2,(H,22,23)
InChIKeyHMSBOFXEXVEIMW-UHFFFAOYSA-N
XLogP3.07
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(5-phenylfuran-2-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 3146599
CID 3146599
CID 16110715
CID 16110715
CID 16735161
CID 16735161
CID 16735383
CID 16735383
CID 16736437
CID 16736437
CID 16736444
CID 16736444
CID 16736927
CID 16736927
CID 16737810
CID 16737810
CID 44236897
CID 44236897
CID 44236906
CID 44236906
CID 16110651
CID 16110651
CID 16110655
CID 16110655

Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenylfuran-2-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[(5-phenylfuran-2-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid (CID 24805062) is 2-[(5-phenylfuran-2-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-phenylfuran-2-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[(5-phenylfuran-2-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid is O=C(O)CN(Cc1ccccn1)C(=O)c1ccc(-c2ccccc2)o1.
What is the InChIKey of 2-[(5-phenylfuran-2-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid?
The InChIKey is HMSBOFXEXVEIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c22-18(23)13-21(12-15-8-4-5-11-20-15)19(24)17-10-9-16(25-17)14-6-2-1-3-7-14/h1-11H,12-13H2,(H,22,23).
What are the key properties of 2-[(5-phenylfuran-2-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid?
2-[(5-phenylfuran-2-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid has a molecular weight of 336.35 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenylfuran-2-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid is sourced from PubChem (CID 24805062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).