2,5-dimethyl-N-pyrrolidin-3-ylfuran-3-carboxamide

C11H16N2O2 — CID 43603617

IUPAC2,5-dimethyl-N-pyrrolidin-3-ylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC2CCNC2)c(C)o1
InChIInChI=1S/C11H16N2O2/c1-7-5-10(8(2)15-7)11(14)13-9-3-4-12-6-9/h5,9,12H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyFFTFUDZRWOQLJJ-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.99
Rot. Bonds2

About 2,5-dimethyl-N-pyrrolidin-3-ylfuran-3-carboxamide

2,5-dimethyl-N-pyrrolidin-3-ylfuran-3-carboxamide (PubChem CID 43603617) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2,5-dimethyl-N-pyrrolidin-3-ylfuran-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-pyrrolidin-3-ylfuran-3-carboxamide
PubChem CID43603617
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2,5-dimethyl-N-pyrrolidin-3-ylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC2CCNC2)c(C)o1
InChIInChI=1S/C11H16N2O2/c1-7-5-10(8(2)15-7)11(14)13-9-3-4-12-6-9/h5,9,12H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyFFTFUDZRWOQLJJ-UHFFFAOYSA-N
XLogP0.99
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-[(3S)-piperidin-3-yl]furan-3-carboxamide
CID 93274596
2,5-dimethyl-N-piperidin-3-ylfuran-3-carboxamide;hydrochloride
CID 119427545
2,5-dimethyl-N-(2-methylpiperidin-4-yl)furan-3-carboxamide;hydrochloride
CID 120600731
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2,5-dimethylfuran-3-carboxamide
CID 43603808
N-[4-(ethylamino)cyclohexyl]-2,5-dimethylfuran-3-carboxamide
CID 43653345
2,5-dimethyl-N-(piperidin-4-ylmethyl)furan-3-carboxamide
CID 60725294
N-[(4S)-4-methoxypyrrolidin-3-yl]-2,5-dimethylfuran-3-carboxamide
CID 43594107
N-[1-(2-methoxyethyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 71784704
4-methyl-N-pyrrolidin-3-ylthiophene-3-carboxamide
CID 79808924
2,5-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]furan-3-carboxamide
CID 7028594
4-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79689167
2,4-difluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449965

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-pyrrolidin-3-ylfuran-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-pyrrolidin-3-ylfuran-3-carboxamide (CID 43603617) is 2,5-dimethyl-N-pyrrolidin-3-ylfuran-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-pyrrolidin-3-ylfuran-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-pyrrolidin-3-ylfuran-3-carboxamide is Cc1cc(C(=O)NC2CCNC2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-pyrrolidin-3-ylfuran-3-carboxamide?
The InChIKey is FFTFUDZRWOQLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7-5-10(8(2)15-7)11(14)13-9-3-4-12-6-9/h5,9,12H,3-4,6H2,1-2H3,(H,13,14).
What are the key properties of 2,5-dimethyl-N-pyrrolidin-3-ylfuran-3-carboxamide?
2,5-dimethyl-N-pyrrolidin-3-ylfuran-3-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-pyrrolidin-3-ylfuran-3-carboxamide is sourced from PubChem (CID 43603617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).