N-[(4S)-4-methoxypyrrolidin-3-yl]-2,5-dimethylfuran-3-carboxamide

C12H18N2O3 — CID 43594107

IUPACN-[(4S)-4-methoxypyrrolidin-3-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCO[C@H]1CNCC1NC(=O)c1cc(C)oc1C
InChIInChI=1S/C12H18N2O3/c1-7-4-9(8(2)17-7)12(15)14-10-5-13-6-11(10)16-3/h4,10-11,13H,5-6H2,1-3H3,(H,14,15)/t10?,11-/m0/s1
InChIKeyFSYIBFQGUXUALU-DTIOYNMSSA-N
MW238.29 g/mol
LogP0.61
Rot. Bonds3

About N-[(4S)-4-methoxypyrrolidin-3-yl]-2,5-dimethylfuran-3-carboxamide

N-[(4S)-4-methoxypyrrolidin-3-yl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 43594107) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[(4S)-4-methoxypyrrolidin-3-yl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(4S)-4-methoxypyrrolidin-3-yl]-2,5-dimethylfuran-3-carboxamide
PubChem CID43594107
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-[(4S)-4-methoxypyrrolidin-3-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCO[C@H]1CNCC1NC(=O)c1cc(C)oc1C
InChIInChI=1S/C12H18N2O3/c1-7-4-9(8(2)17-7)12(15)14-10-5-13-6-11(10)16-3/h4,10-11,13H,5-6H2,1-3H3,(H,14,15)/t10?,11-/m0/s1
InChIKeyFSYIBFQGUXUALU-DTIOYNMSSA-N
XLogP0.61
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2,5-dimethylfuran-3-carboxamide
CID 118784158
N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 93205481
2,5-dimethyl-N-pyrrolidin-3-ylfuran-3-carboxamide
CID 43603617
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2,5-dimethylfuran-3-carboxamide
CID 43603808
2,5-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]furan-3-carboxamide
CID 7028594
2-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylbenzamide
CID 113357096
2,5-dimethyl-N-[(3S)-piperidin-3-yl]furan-3-carboxamide
CID 93274596
5-chloro-N-(4-methoxypyrrolidin-3-yl)furan-2-carboxamide
CID 74883276
2,5-dimethyl-N-(piperidin-4-ylmethyl)furan-3-carboxamide
CID 60725294
2,5-dimethyl-N-piperidin-3-ylfuran-3-carboxamide;hydrochloride
CID 119427545
4,5-diethyl-N-[(4S)-4-methoxypyrrolidin-3-yl]furan-2-carboxamide;hydrochloride
CID 91660112
2-fluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methyl-5-nitrobenzamide
CID 103297683

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-2,5-dimethylfuran-3-carboxamide (CID 43594107) is N-[(4S)-4-methoxypyrrolidin-3-yl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(4S)-4-methoxypyrrolidin-3-yl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(4S)-4-methoxypyrrolidin-3-yl]-2,5-dimethylfuran-3-carboxamide is CO[C@H]1CNCC1NC(=O)c1cc(C)oc1C.
What is the InChIKey of N-[(4S)-4-methoxypyrrolidin-3-yl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is FSYIBFQGUXUALU-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-7-4-9(8(2)17-7)12(15)14-10-5-13-6-11(10)16-3/h4,10-11,13H,5-6H2,1-3H3,(H,14,15)/t10?,11-/m0/s1.
What are the key properties of N-[(4S)-4-methoxypyrrolidin-3-yl]-2,5-dimethylfuran-3-carboxamide?
N-[(4S)-4-methoxypyrrolidin-3-yl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-methoxypyrrolidin-3-yl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 43594107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).