3-[6-[(5-methylfuran-2-carbonyl)amino]-2-pyridinyl]prop-2-enoic acid

C14H12N2O4 — CID 76907496

IUPAC3-[6-[(5-methylfuran-2-carbonyl)amino]-2-pyridinyl]prop-2-enoic acid
SMILESCc1ccc(C(=O)Nc2cccc(C=CC(=O)O)n2)o1
InChIInChI=1S/C14H12N2O4/c1-9-5-7-11(20-9)14(19)16-12-4-2-3-10(15-12)6-8-13(17)18/h2-8H,1H3,(H,17,18)(H,15,16,19)
InChIKeyMIVJKLVNOGQACM-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.33
Rot. Bonds4

About 3-[6-[(5-methylfuran-2-carbonyl)amino]-2-pyridinyl]prop-2-enoic acid

3-[6-[(5-methylfuran-2-carbonyl)amino]-2-pyridinyl]prop-2-enoic acid (PubChem CID 76907496) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 3-[6-[(5-methylfuran-2-carbonyl)amino]-2-pyridinyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[6-[(5-methylfuran-2-carbonyl)amino]-2-pyridinyl]prop-2-enoic acid
PubChem CID76907496
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name3-[6-[(5-methylfuran-2-carbonyl)amino]-2-pyridinyl]prop-2-enoic acid
SMILESCc1ccc(C(=O)Nc2cccc(C=CC(=O)O)n2)o1
InChIInChI=1S/C14H12N2O4/c1-9-5-7-11(20-9)14(19)16-12-4-2-3-10(15-12)6-8-13(17)18/h2-8H,1H3,(H,17,18)(H,15,16,19)
InChIKeyMIVJKLVNOGQACM-UHFFFAOYSA-N
XLogP2.33
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[6-(dimethylcarbamoylamino)-2-pyridinyl]prop-2-enoic acid
CID 79153991
(E)-3-[6-[(2-methoxyacetyl)amino]-2-pyridinyl]prop-2-enoic acid
CID 94230843
(E)-3-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]prop-2-enoic acid
CID 109374977
3-[6-(2-methylbutanoylamino)-2-pyridinyl]prop-2-enoic acid
CID 54971815
(E)-3-[6-[(2-methylcyclopropanecarbonyl)amino]-2-pyridinyl]prop-2-enoic acid
CID 109374970
(E)-3-[6-(2-ethylbutanoylamino)-2-pyridinyl]prop-2-enoic acid
CID 109374976
(E)-3-[6-(3-methylpentanoylamino)-2-pyridinyl]prop-2-enoic acid
CID 114876532
(E)-3-[6-(cyclopropylcarbamoylamino)-2-pyridinyl]prop-2-enoic acid
CID 62698184
3-[2-fluoro-4-[(5-methylfuran-2-carbonyl)amino]phenyl]prop-2-enoic acid
CID 77069448
(E)-3-[6-(sulfamoylamino)-2-pyridinyl]prop-2-enoic acid
CID 114959594
3-[6-(2,2-dimethylpropylsulfonylamino)-2-pyridinyl]prop-2-enoic acid
CID 77045165
3-[6-[(2-pyrazol-1-ylacetyl)amino]-2-pyridinyl]prop-2-enoic acid
CID 76907383

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(5-methylfuran-2-carbonyl)amino]-2-pyridinyl]prop-2-enoic acid?
The IUPAC name of 3-[6-[(5-methylfuran-2-carbonyl)amino]-2-pyridinyl]prop-2-enoic acid (CID 76907496) is 3-[6-[(5-methylfuran-2-carbonyl)amino]-2-pyridinyl]prop-2-enoic acid.
What is the SMILES notation for 3-[6-[(5-methylfuran-2-carbonyl)amino]-2-pyridinyl]prop-2-enoic acid?
The canonical SMILES for 3-[6-[(5-methylfuran-2-carbonyl)amino]-2-pyridinyl]prop-2-enoic acid is Cc1ccc(C(=O)Nc2cccc(C=CC(=O)O)n2)o1.
What is the InChIKey of 3-[6-[(5-methylfuran-2-carbonyl)amino]-2-pyridinyl]prop-2-enoic acid?
The InChIKey is MIVJKLVNOGQACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-9-5-7-11(20-9)14(19)16-12-4-2-3-10(15-12)6-8-13(17)18/h2-8H,1H3,(H,17,18)(H,15,16,19).
What are the key properties of 3-[6-[(5-methylfuran-2-carbonyl)amino]-2-pyridinyl]prop-2-enoic acid?
3-[6-[(5-methylfuran-2-carbonyl)amino]-2-pyridinyl]prop-2-enoic acid has a molecular weight of 272.26 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(5-methylfuran-2-carbonyl)amino]-2-pyridinyl]prop-2-enoic acid is sourced from PubChem (CID 76907496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).