[4-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone

C18H27N3O2 — CID 95724039

IUPAC[4-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone
SMILESCC(C)C[C@@H]1CCN(c2ccnc(C(=O)N3CCOCC3)c2)C1
InChIInChI=1S/C18H27N3O2/c1-14(2)11-15-4-6-21(13-15)16-3-5-19-17(12-16)18(22)20-7-9-23-10-8-20/h3,5,12,14-15H,4,6-11,13H2,1-2H3/t15-/m0/s1
InChIKeyCMONQZKBYDJNQC-HNNXBMFYSA-N
MW317.43 g/mol
LogP2.43
Rot. Bonds4

About [4-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone

[4-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 95724039) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is [4-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone
PubChem CID95724039
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name[4-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone
SMILESCC(C)C[C@@H]1CCN(c2ccnc(C(=O)N3CCOCC3)c2)C1
InChIInChI=1S/C18H27N3O2/c1-14(2)11-15-4-6-21(13-15)16-3-5-19-17(12-16)18(22)20-7-9-23-10-8-20/h3,5,12,14-15H,4,6-11,13H2,1-2H3/t15-/m0/s1
InChIKeyCMONQZKBYDJNQC-HNNXBMFYSA-N
XLogP2.43
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[4-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 56898986
[4-(3-methoxypiperidin-1-yl)-2-pyridinyl]-morpholin-4-ylmethanone
CID 56886009
1-[4-(4-morpholin-4-ylpyridine-2-carbonyl)piperazin-1-yl]ethanone
CID 109206574
(4-morpholin-4-yl-2-pyridinyl)-[4-(phenoxymethyl)piperidin-1-yl]methanone
CID 136534504
N-(2-methylpropyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109079570
[4-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 56911992
N-(2-methylpropyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 109202858
N-(3-methylbutyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109083009
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone
CID 9489775
[4-(4-benzylpiperidin-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205137
(4-benzylpiperidin-1-yl)-[4-(4-methylpiperidin-1-yl)-2-pyridinyl]methanone
CID 109205317
N-[2-(1H-imidazol-5-yl)ethyl]-4-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]pyridine-2-carboxamide
CID 95722116

Frequently Asked Questions

What is the IUPAC name of [4-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone (CID 95724039) is [4-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone is CC(C)C[C@@H]1CCN(c2ccnc(C(=O)N3CCOCC3)c2)C1.
What is the InChIKey of [4-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is CMONQZKBYDJNQC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14(2)11-15-4-6-21(13-15)16-3-5-19-17(12-16)18(22)20-7-9-23-10-8-20/h3,5,12,14-15H,4,6-11,13H2,1-2H3/t15-/m0/s1.
What are the key properties of [4-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone?
[4-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 317.43 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 95724039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).