3-(6-methyl-2-pyridinyl)propyl 4-(furan-2-carbonylamino)butanoate

C18H22N2O4 — CID 86977764

IUPAC3-(6-methyl-2-pyridinyl)propyl 4-(furan-2-carbonylamino)butanoate
SMILESCc1cccc(CCCOC(=O)CCCNC(=O)c2ccco2)n1
InChIInChI=1S/C18H22N2O4/c1-14-6-2-7-15(20-14)8-4-13-24-17(21)10-3-11-19-18(22)16-9-5-12-23-16/h2,5-7,9,12H,3-4,8,10-11,13H2,1H3,(H,19,22)
InChIKeyHMAQKWIBOIOCBB-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.67
Rot. Bonds9

About 3-(6-methyl-2-pyridinyl)propyl 4-(furan-2-carbonylamino)butanoate

3-(6-methyl-2-pyridinyl)propyl 4-(furan-2-carbonylamino)butanoate (PubChem CID 86977764) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-(6-methyl-2-pyridinyl)propyl 4-(furan-2-carbonylamino)butanoate.

Molecular Properties

Compound Name3-(6-methyl-2-pyridinyl)propyl 4-(furan-2-carbonylamino)butanoate
PubChem CID86977764
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name3-(6-methyl-2-pyridinyl)propyl 4-(furan-2-carbonylamino)butanoate
SMILESCc1cccc(CCCOC(=O)CCCNC(=O)c2ccco2)n1
InChIInChI=1S/C18H22N2O4/c1-14-6-2-7-15(20-14)8-4-13-24-17(21)10-3-11-19-18(22)16-9-5-12-23-16/h2,5-7,9,12H,3-4,8,10-11,13H2,1H3,(H,19,22)
InChIKeyHMAQKWIBOIOCBB-UHFFFAOYSA-N
XLogP2.67
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(6-methyl-2-pyridinyl)propyl 4-[(4-chlorobenzoyl)amino]butanoate
CID 78769337
2-ethoxyethyl 4-(furan-2-carbonylamino)butanoate
CID 86914497
N-(4-methoxybutyl)furan-2-carboxamide
CID 60769533
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
ethyl 2-[4-(furan-2-carbonylamino)butanoylamino]propanoate
CID 61343133
N-(4-aminobutyl)furan-2-carboxamide
CID 14423349
(2,4-dichlorophenyl)methyl 4-(furan-2-carbonylamino)butanoate
CID 55369171
N-(5-bromopentyl)furan-2-carboxamide
CID 107322078
N-[4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 51241859
3-(6-methyl-2-pyridinyl)propyl 2-pyridin-4-ylsulfanylacetate
CID 78838453
3-(6-methyl-2-pyridinyl)propyl 3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanoate
CID 137287411
N-[3-(ethylamino)propyl]furan-2-carboxamide
CID 43601657

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-2-pyridinyl)propyl 4-(furan-2-carbonylamino)butanoate?
The IUPAC name of 3-(6-methyl-2-pyridinyl)propyl 4-(furan-2-carbonylamino)butanoate (CID 86977764) is 3-(6-methyl-2-pyridinyl)propyl 4-(furan-2-carbonylamino)butanoate.
What is the SMILES notation for 3-(6-methyl-2-pyridinyl)propyl 4-(furan-2-carbonylamino)butanoate?
The canonical SMILES for 3-(6-methyl-2-pyridinyl)propyl 4-(furan-2-carbonylamino)butanoate is Cc1cccc(CCCOC(=O)CCCNC(=O)c2ccco2)n1.
What is the InChIKey of 3-(6-methyl-2-pyridinyl)propyl 4-(furan-2-carbonylamino)butanoate?
The InChIKey is HMAQKWIBOIOCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-14-6-2-7-15(20-14)8-4-13-24-17(21)10-3-11-19-18(22)16-9-5-12-23-16/h2,5-7,9,12H,3-4,8,10-11,13H2,1H3,(H,19,22).
What are the key properties of 3-(6-methyl-2-pyridinyl)propyl 4-(furan-2-carbonylamino)butanoate?
3-(6-methyl-2-pyridinyl)propyl 4-(furan-2-carbonylamino)butanoate has a molecular weight of 330.38 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2-pyridinyl)propyl 4-(furan-2-carbonylamino)butanoate is sourced from PubChem (CID 86977764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).