[6-(3-amino-4-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone

C17H26N4O2 — CID 156605295

IUPAC[6-(3-amino-4-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCC(C)C1CN(c2ccc(C(=O)N3CCOCC3)cn2)CC1N
InChIInChI=1S/C17H26N4O2/c1-12(2)14-10-21(11-15(14)18)16-4-3-13(9-19-16)17(22)20-5-7-23-8-6-20/h3-4,9,12,14-15H,5-8,10-11,18H2,1-2H3
InChIKeyPUSKGINVGURMIJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.97
Rot. Bonds3

About [6-(3-amino-4-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone

[6-(3-amino-4-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 156605295) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is [6-(3-amino-4-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-(3-amino-4-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID156605295
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name[6-(3-amino-4-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCC(C)C1CN(c2ccc(C(=O)N3CCOCC3)cn2)CC1N
InChIInChI=1S/C17H26N4O2/c1-12(2)14-10-21(11-15(14)18)16-4-3-13(9-19-16)17(22)20-5-7-23-8-6-20/h3-4,9,12,14-15H,5-8,10-11,18H2,1-2H3
InChIKeyPUSKGINVGURMIJ-UHFFFAOYSA-N
XLogP0.97
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4R)-1-[5-(piperidine-1-carbonyl)-2-pyridinyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
CID 133134622
[6-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone;dihydrochloride
CID 154897411
[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 123921823
(3-ethyl-4-propan-2-ylpiperazin-1-yl)-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 56745157
[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56739291
[6-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 95561255
[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 109153468
[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-piperazin-1-ylmethanone
CID 124695718
1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbonyl]piperidine-4-carboxamide
CID 37320191
N,N-dimethyl-4-(6-morpholin-4-ylpyridine-3-carbonyl)piperazine-1-sulfonamide
CID 32505460
[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56758492
1-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbonyl]piperidine-4-carboxamide
CID 37320192

Frequently Asked Questions

What is the IUPAC name of [6-(3-amino-4-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [6-(3-amino-4-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone (CID 156605295) is [6-(3-amino-4-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-(3-amino-4-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-(3-amino-4-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone is CC(C)C1CN(c2ccc(C(=O)N3CCOCC3)cn2)CC1N.
What is the InChIKey of [6-(3-amino-4-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is PUSKGINVGURMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-12(2)14-10-21(11-15(14)18)16-4-3-13(9-19-16)17(22)20-5-7-23-8-6-20/h3-4,9,12,14-15H,5-8,10-11,18H2,1-2H3.
What are the key properties of [6-(3-amino-4-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone?
[6-(3-amino-4-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 318.42 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-amino-4-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 156605295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).