2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)furan-3-carboxamide

C17H20N2O2 — CID 110862042

IUPAC2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)furan-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N3CCCC3)cc2)c(C)o1
InChIInChI=1S/C17H20N2O2/c1-12-11-16(13(2)21-12)17(20)18-14-5-7-15(8-6-14)19-9-3-4-10-19/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,20)
InChIKeyCGFRHFURVQKBNW-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.75
Rot. Bonds3

About 2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)furan-3-carboxamide

2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)furan-3-carboxamide (PubChem CID 110862042) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)furan-3-carboxamide
PubChem CID110862042
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)furan-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N3CCCC3)cc2)c(C)o1
InChIInChI=1S/C17H20N2O2/c1-12-11-16(13(2)21-12)17(20)18-14-5-7-15(8-6-14)19-9-3-4-10-19/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,20)
InChIKeyCGFRHFURVQKBNW-UHFFFAOYSA-N
XLogP3.75
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide
CID 42038603
[(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2,5-dimethylfuran-3-carboxylate
CID 8860962
2,5-dimethyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]furan-3-carboxamide
CID 122355081
2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrrole-3-carboxamide
CID 110766236
N-[4-(azepan-1-yl)phenyl]-2,4-dimethylbenzamide
CID 60593055
N-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylfuran-3-carboxamide
CID 2811743
5-methyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-2-carboxamide
CID 84577750
2,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide
CID 126814286
N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2,5-dimethylfuran-3-carboxamide
CID 111428790
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
(4-pyrrolidin-1-ylphenyl)carbamic acid
CID 91209465
3,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1,2-oxazole-4-carboxamide
CID 7999169

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)furan-3-carboxamide (CID 110862042) is 2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)furan-3-carboxamide is Cc1cc(C(=O)Nc2ccc(N3CCCC3)cc2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)furan-3-carboxamide?
The InChIKey is CGFRHFURVQKBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-11-16(13(2)21-12)17(20)18-14-5-7-15(8-6-14)19-9-3-4-10-19/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,20).
What are the key properties of 2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)furan-3-carboxamide?
2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)furan-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)furan-3-carboxamide is sourced from PubChem (CID 110862042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).