N-[(3R)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]furan-3-carboxamide

C17H21N3O3 — CID 95107251

IUPACN-[(3R)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]furan-3-carboxamide
SMILESCCOc1ccc(CN2CC[C@@H](NC(=O)c3ccoc3)C2)cn1
InChIInChI=1S/C17H21N3O3/c1-2-23-16-4-3-13(9-18-16)10-20-7-5-15(11-20)19-17(21)14-6-8-22-12-14/h3-4,6,8-9,12,15H,2,5,7,10-11H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyKZQATFMKIVIWGX-OAHLLOKOSA-N
MW315.37 g/mol
LogP2.08
Rot. Bonds6

About N-[(3R)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]furan-3-carboxamide

N-[(3R)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]furan-3-carboxamide (PubChem CID 95107251) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[(3R)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]furan-3-carboxamide
PubChem CID95107251
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[(3R)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]furan-3-carboxamide
SMILESCCOc1ccc(CN2CC[C@@H](NC(=O)c3ccoc3)C2)cn1
InChIInChI=1S/C17H21N3O3/c1-2-23-16-4-3-13(9-18-16)10-20-7-5-15(11-20)19-17(21)14-6-8-22-12-14/h3-4,6,8-9,12,15H,2,5,7,10-11H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyKZQATFMKIVIWGX-OAHLLOKOSA-N
XLogP2.08
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyano-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide
CID 53185237
2-(dimethylamino)-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]acetamide
CID 53185239
1-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea
CID 95107286
4-cyano-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide
CID 95107205
N-[(3S)-1-[(6-propoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-2-carboxamide
CID 95107314
N-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide
CID 95107295
1-ethyl-N-[(3R)-1-[(6-propoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazole-3-carboxamide
CID 95107321
1-cyclopentyl-3-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]urea
CID 95107233
N-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]furan-3-carboxamide
CID 98042037
2,4-difluoro-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide
CID 95107187
N-[(3S)-1-benzylpyrrolidin-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 25474035
N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]furan-3-carboxamide
CID 45180386

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]furan-3-carboxamide?
The IUPAC name of N-[(3R)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]furan-3-carboxamide (CID 95107251) is N-[(3R)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]furan-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]furan-3-carboxamide?
The canonical SMILES for N-[(3R)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]furan-3-carboxamide is CCOc1ccc(CN2CC[C@@H](NC(=O)c3ccoc3)C2)cn1.
What is the InChIKey of N-[(3R)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]furan-3-carboxamide?
The InChIKey is KZQATFMKIVIWGX-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-2-23-16-4-3-13(9-18-16)10-20-7-5-15(11-20)19-17(21)14-6-8-22-12-14/h3-4,6,8-9,12,15H,2,5,7,10-11H2,1H3,(H,19,21)/t15-/m1/s1.
What are the key properties of N-[(3R)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]furan-3-carboxamide?
N-[(3R)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]furan-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]furan-3-carboxamide is sourced from PubChem (CID 95107251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).