(3S)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide

C18H23N3O3 — CID 97067874

IUPAC(3S)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
SMILESCc1cc([C@H](C)NC(=O)N2CC[C@H](Oc3cccnc3)C2)c(C)o1
InChIInChI=1S/C18H23N3O3/c1-12-9-17(14(3)23-12)13(2)20-18(22)21-8-6-16(11-21)24-15-5-4-7-19-10-15/h4-5,7,9-10,13,16H,6,8,11H2,1-3H3,(H,20,22)/t13-,16-/m0/s1
InChIKeyJAUMMMYPAGGMHW-BBRMVZONSA-N
MW329.40 g/mol
LogP3.22
Rot. Bonds4

About (3S)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide

(3S)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide (PubChem CID 97067874) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (3S)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
PubChem CID97067874
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(3S)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
SMILESCc1cc([C@H](C)NC(=O)N2CC[C@H](Oc3cccnc3)C2)c(C)o1
InChIInChI=1S/C18H23N3O3/c1-12-9-17(14(3)23-12)13(2)20-18(22)21-8-6-16(11-21)24-15-5-4-7-19-10-15/h4-5,7,9-10,13,16H,6,8,11H2,1-3H3,(H,20,22)/t13-,16-/m0/s1
InChIKeyJAUMMMYPAGGMHW-BBRMVZONSA-N
XLogP3.22
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97227310
1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393
(2R)-2-amino-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]propan-1-one
CID 124593054
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,5-dimethylpiperidine-1-carboxamide
CID 60597945
N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 119043695
(3S)-N-pyridin-2-yl-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97084803
2-oxo-2-(3-pyridin-3-yloxypyrrolidin-1-yl)acetamide
CID 175996540
pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
CID 110876433
(3S)-3-pyridin-3-yloxy-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide
CID 97096563
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-pyridin-3-yloxypyrrolidin-1-yl]ethanone
CID 129382162
(3R)-N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97227591
(3R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97064402

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide (CID 97067874) is (3S)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide is Cc1cc([C@H](C)NC(=O)N2CC[C@H](Oc3cccnc3)C2)c(C)o1.
What is the InChIKey of (3S)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide?
The InChIKey is JAUMMMYPAGGMHW-BBRMVZONSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12-9-17(14(3)23-12)13(2)20-18(22)21-8-6-16(11-21)24-15-5-4-7-19-10-15/h4-5,7,9-10,13,16H,6,8,11H2,1-3H3,(H,20,22)/t13-,16-/m0/s1.
What are the key properties of (3S)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide?
(3S)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide is sourced from PubChem (CID 97067874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).