N-[2-(2-methylpropanoylamino)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide

C17H21N3O4 — CID 31344363

IUPACN-[2-(2-methylpropanoylamino)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
SMILESCC(C)C(=O)NCCNC(=O)c1ccc(Cn2ccccc2=O)o1
InChIInChI=1S/C17H21N3O4/c1-12(2)16(22)18-8-9-19-17(23)14-7-6-13(24-14)11-20-10-4-3-5-15(20)21/h3-7,10,12H,8-9,11H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyWEJJWUAIWKACCM-UHFFFAOYSA-N
MW331.37 g/mol
LogP0.99
Rot. Bonds7

About N-[2-(2-methylpropanoylamino)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide

N-[2-(2-methylpropanoylamino)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide (PubChem CID 31344363) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[2-(2-methylpropanoylamino)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylpropanoylamino)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
PubChem CID31344363
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-[2-(2-methylpropanoylamino)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
SMILESCC(C)C(=O)NCCNC(=O)c1ccc(Cn2ccccc2=O)o1
InChIInChI=1S/C17H21N3O4/c1-12(2)16(22)18-8-9-19-17(23)14-7-6-13(24-14)11-20-10-4-3-5-15(20)21/h3-7,10,12H,8-9,11H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyWEJJWUAIWKACCM-UHFFFAOYSA-N
XLogP0.99
TPSA93.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 47141529
N-[(2R)-3-methylbutan-2-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 30597946
N-[(2S)-3-methylbutan-2-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 30597949
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 134024628
N-[(1R)-1-(2-fluorophenyl)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 31343638
5-[(2-oxo-1-pyridinyl)methyl]-N-(1-pyridin-4-ylethyl)furan-2-carboxamide
CID 134024480
5-[(2-oxo-1-pyridinyl)methyl]-N-prop-2-enylfuran-2-carboxamide
CID 47141528
N-[(3-methoxyphenyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 134024409
N-[(2R)-1-ethoxy-3-methylbutan-2-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 124851092
N'-(4-ethylbenzoyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
CID 134024433
N-[(1-hydroxycycloheptyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 111433258
5-[(2-oxo-1-pyridinyl)methyl]-N-[(1-phenylcyclopropyl)methyl]furan-2-carboxamide
CID 33284170

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropanoylamino)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The IUPAC name of N-[2-(2-methylpropanoylamino)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide (CID 31344363) is N-[2-(2-methylpropanoylamino)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(2-methylpropanoylamino)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(2-methylpropanoylamino)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide is CC(C)C(=O)NCCNC(=O)c1ccc(Cn2ccccc2=O)o1.
What is the InChIKey of N-[2-(2-methylpropanoylamino)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The InChIKey is WEJJWUAIWKACCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-12(2)16(22)18-8-9-19-17(23)14-7-6-13(24-14)11-20-10-4-3-5-15(20)21/h3-7,10,12H,8-9,11H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of N-[2-(2-methylpropanoylamino)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
N-[2-(2-methylpropanoylamino)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropanoylamino)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 31344363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).