(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]propanamide

C21H32N4O3 — CID 124886784

IUPAC(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]propanamide
SMILESC[C@H](C(=O)NC[C@@H]1CCCO1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1
InChIInChI=1S/C21H32N4O3/c1-16(21(26)23-14-17-6-5-13-27-17)25-12-8-18(15-25)28-19-7-4-9-22-20(19)24-10-2-3-11-24/h4,7,9,16-18H,2-3,5-6,8,10-15H2,1H3,(H,23,26)/t16-,17+,18+/m1/s1
InChIKeyIMDSITPCEZKQOG-SQNIBIBYSA-N
MW388.51 g/mol
LogP1.82
Rot. Bonds7

About (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]propanamide

(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]propanamide (PubChem CID 124886784) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]propanamide
PubChem CID124886784
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Name(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]propanamide
SMILESC[C@H](C(=O)NC[C@@H]1CCCO1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1
InChIInChI=1S/C21H32N4O3/c1-16(21(26)23-14-17-6-5-13-27-17)25-12-8-18(15-25)28-19-7-4-9-22-20(19)24-10-2-3-11-24/h4,7,9,16-18H,2-3,5-6,8,10-15H2,1H3,(H,23,26)/t16-,17+,18+/m1/s1
InChIKeyIMDSITPCEZKQOG-SQNIBIBYSA-N
XLogP1.82
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 3192331
N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 3192318
(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide
CID 98765693
2-chloro-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one
CID 146095016
(2S)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 95305228
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129473052
(3R)-N-[(2-methylpyrazol-3-yl)methyl]-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carboxamide
CID 129341824
2-[4-(4-methylpentanoyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 92756835
2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 136525948
methyl 1-[(3R)-1-[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl]pyrrolidin-3-yl]triazole-4-carboxylate
CID 98878498
(2R)-2-(2,3-dimethylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 28984853
N-[(2S)-butan-2-yl]-4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 92756864

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]propanamide?
The IUPAC name of (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]propanamide (CID 124886784) is (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]propanamide is C[C@H](C(=O)NC[C@@H]1CCCO1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1.
What is the InChIKey of (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]propanamide?
The InChIKey is IMDSITPCEZKQOG-SQNIBIBYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-16(21(26)23-14-17-6-5-13-27-17)25-12-8-18(15-25)28-19-7-4-9-22-20(19)24-10-2-3-11-24/h4,7,9,16-18H,2-3,5-6,8,10-15H2,1H3,(H,23,26)/t16-,17+,18+/m1/s1.
What are the key properties of (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]propanamide?
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]propanamide has a molecular weight of 388.51 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 124886784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).