(3S)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide

C17H21N3O3 — CID 97227310

IUPAC(3S)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
SMILESC[C@@H](Cc1ccco1)NC(=O)N1CC[C@H](Oc2cccnc2)C1
InChIInChI=1S/C17H21N3O3/c1-13(10-14-5-3-9-22-14)19-17(21)20-8-6-16(12-20)23-15-4-2-7-18-11-15/h2-5,7,9,11,13,16H,6,8,10,12H2,1H3,(H,19,21)/t13-,16-/m0/s1
InChIKeyMOZGPYTZIRTZNS-BBRMVZONSA-N
MW315.37 g/mol
LogP2.47
Rot. Bonds5

About (3S)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide

(3S)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide (PubChem CID 97227310) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is (3S)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
PubChem CID97227310
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name(3S)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
SMILESC[C@@H](Cc1ccco1)NC(=O)N1CC[C@H](Oc2cccnc2)C1
InChIInChI=1S/C17H21N3O3/c1-13(10-14-5-3-9-22-14)19-17(21)20-8-6-16(12-20)23-15-4-2-7-18-11-15/h2-5,7,9,11,13,16H,6,8,10,12H2,1H3,(H,19,21)/t13-,16-/m0/s1
InChIKeyMOZGPYTZIRTZNS-BBRMVZONSA-N
XLogP2.47
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide (CID 97227310) is (3S)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide is C[C@@H](Cc1ccco1)NC(=O)N1CC[C@H](Oc2cccnc2)C1.
What is the InChIKey of (3S)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide?
The InChIKey is MOZGPYTZIRTZNS-BBRMVZONSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-13(10-14-5-3-9-22-14)19-17(21)20-8-6-16(12-20)23-15-4-2-7-18-11-15/h2-5,7,9,11,13,16H,6,8,10,12H2,1H3,(H,19,21)/t13-,16-/m0/s1.
What are the key properties of (3S)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide?
(3S)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide is sourced from PubChem (CID 97227310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).