5-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]pentanoic acid

C19H20N2O4 — CID 120525366

IUPAC5-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C19H20N2O4/c22-18(23)3-1-2-7-21-19(24)16-10-15(11-20-12-16)13-4-5-17-14(9-13)6-8-25-17/h4-5,9-12H,1-3,6-8H2,(H,21,24)(H,22,23)
InChIKeyHDCZLJGICUPWJZ-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.67
Rot. Bonds7

About 5-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]pentanoic acid

5-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]pentanoic acid (PubChem CID 120525366) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]pentanoic acid
PubChem CID120525366
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name5-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C19H20N2O4/c22-18(23)3-1-2-7-21-19(24)16-10-15(11-20-12-16)13-4-5-17-14(9-13)6-8-25-17/h4-5,9-12H,1-3,6-8H2,(H,21,24)(H,22,23)
InChIKeyHDCZLJGICUPWJZ-UHFFFAOYSA-N
XLogP2.67
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]-ethylamino]propanoic acid
CID 120516834
5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carboxylic acid
CID 54974551
5-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide
CID 167883086
7-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]heptanoic acid
CID 119350793
2-[cyclopropyl-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]propanoic acid
CID 120519337
5-(1,3-benzodioxol-5-yl)-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 58833072
N-(6-iodohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 107848625
4-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methylcarbamoylamino]butanoic acid
CID 122013530
2-[4-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]morpholin-2-yl]acetic acid
CID 120527794
4-(2,3-dihydro-1-benzofuran-5-ylamino)butanoic acid
CID 115218481
1-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]piperidine-2-carboxylic acid
CID 120514994
1-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122112738

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]pentanoic acid?
The IUPAC name of 5-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]pentanoic acid (CID 120525366) is 5-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]pentanoic acid?
The canonical SMILES for 5-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]pentanoic acid is O=C(O)CCCCNC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1.
What is the InChIKey of 5-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]pentanoic acid?
The InChIKey is HDCZLJGICUPWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-18(23)3-1-2-7-21-19(24)16-10-15(11-20-12-16)13-4-5-17-14(9-13)6-8-25-17/h4-5,9-12H,1-3,6-8H2,(H,21,24)(H,22,23).
What are the key properties of 5-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]pentanoic acid?
5-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]pentanoic acid has a molecular weight of 340.38 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 120525366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).