N-[1-(1-amino-1-oxobutan-2-yl)-2-oxo-3-pyridinyl]furan-3-carboxamide

C14H15N3O4 — CID 141104537

IUPACN-[1-(1-amino-1-oxobutan-2-yl)-2-oxo-3-pyridinyl]furan-3-carboxamide
SMILESCCC(C(N)=O)n1cccc(NC(=O)c2ccoc2)c1=O
InChIInChI=1S/C14H15N3O4/c1-2-11(12(15)18)17-6-3-4-10(14(17)20)16-13(19)9-5-7-21-8-9/h3-8,11H,2H2,1H3,(H2,15,18)(H,16,19)
InChIKeyDPQARIFTRWWVPK-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.13
Rot. Bonds5

About N-[1-(1-amino-1-oxobutan-2-yl)-2-oxo-3-pyridinyl]furan-3-carboxamide

N-[1-(1-amino-1-oxobutan-2-yl)-2-oxo-3-pyridinyl]furan-3-carboxamide (PubChem CID 141104537) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-[1-(1-amino-1-oxobutan-2-yl)-2-oxo-3-pyridinyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1-amino-1-oxobutan-2-yl)-2-oxo-3-pyridinyl]furan-3-carboxamide
PubChem CID141104537
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC NameN-[1-(1-amino-1-oxobutan-2-yl)-2-oxo-3-pyridinyl]furan-3-carboxamide
SMILESCCC(C(N)=O)n1cccc(NC(=O)c2ccoc2)c1=O
InChIInChI=1S/C14H15N3O4/c1-2-11(12(15)18)17-6-3-4-10(14(17)20)16-13(19)9-5-7-21-8-9/h3-8,11H,2H2,1H3,(H2,15,18)(H,16,19)
InChIKeyDPQARIFTRWWVPK-UHFFFAOYSA-N
XLogP1.13
TPSA107.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-amino-1-oxobutan-2-yl)-2-oxo-3-pyridinyl]furan-3-carboxamide?
The IUPAC name of N-[1-(1-amino-1-oxobutan-2-yl)-2-oxo-3-pyridinyl]furan-3-carboxamide (CID 141104537) is N-[1-(1-amino-1-oxobutan-2-yl)-2-oxo-3-pyridinyl]furan-3-carboxamide.
What is the SMILES notation for N-[1-(1-amino-1-oxobutan-2-yl)-2-oxo-3-pyridinyl]furan-3-carboxamide?
The canonical SMILES for N-[1-(1-amino-1-oxobutan-2-yl)-2-oxo-3-pyridinyl]furan-3-carboxamide is CCC(C(N)=O)n1cccc(NC(=O)c2ccoc2)c1=O.
What is the InChIKey of N-[1-(1-amino-1-oxobutan-2-yl)-2-oxo-3-pyridinyl]furan-3-carboxamide?
The InChIKey is DPQARIFTRWWVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-2-11(12(15)18)17-6-3-4-10(14(17)20)16-13(19)9-5-7-21-8-9/h3-8,11H,2H2,1H3,(H2,15,18)(H,16,19).
What are the key properties of N-[1-(1-amino-1-oxobutan-2-yl)-2-oxo-3-pyridinyl]furan-3-carboxamide?
N-[1-(1-amino-1-oxobutan-2-yl)-2-oxo-3-pyridinyl]furan-3-carboxamide has a molecular weight of 289.29 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-amino-1-oxobutan-2-yl)-2-oxo-3-pyridinyl]furan-3-carboxamide is sourced from PubChem (CID 141104537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).