ethane;(3-hydroxypyrrolidin-1-yl)-[6-[(3-propylazetidin-1-yl)methyl]-2-pyridinyl]methanone

C19H31N3O2 — CID 177346828

IUPACethane;(3-hydroxypyrrolidin-1-yl)-[6-[(3-propylazetidin-1-yl)methyl]-2-pyridinyl]methanone
SMILESCC.CCCC1CN(Cc2cccc(C(=O)N3CCC(O)C3)n2)C1
InChIInChI=1S/C17H25N3O2.C2H6/c1-2-4-13-9-19(10-13)11-14-5-3-6-16(18-14)17(22)20-8-7-15(21)12-20;1-2/h3,5-6,13,15,21H,2,4,7-12H2,1H3;1-2H3
InChIKeySNYWUGPJVVBFQB-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.55
Rot. Bonds5

About ethane;(3-hydroxypyrrolidin-1-yl)-[6-[(3-propylazetidin-1-yl)methyl]-2-pyridinyl]methanone

ethane;(3-hydroxypyrrolidin-1-yl)-[6-[(3-propylazetidin-1-yl)methyl]-2-pyridinyl]methanone (PubChem CID 177346828) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is ethane;(3-hydroxypyrrolidin-1-yl)-[6-[(3-propylazetidin-1-yl)methyl]-2-pyridinyl]methanone.

Molecular Properties

Compound Nameethane;(3-hydroxypyrrolidin-1-yl)-[6-[(3-propylazetidin-1-yl)methyl]-2-pyridinyl]methanone
PubChem CID177346828
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Nameethane;(3-hydroxypyrrolidin-1-yl)-[6-[(3-propylazetidin-1-yl)methyl]-2-pyridinyl]methanone
SMILESCC.CCCC1CN(Cc2cccc(C(=O)N3CCC(O)C3)n2)C1
InChIInChI=1S/C17H25N3O2.C2H6/c1-2-4-13-9-19(10-13)11-14-5-3-6-16(18-14)17(22)20-8-7-15(21)12-20;1-2/h3,5-6,13,15,21H,2,4,7-12H2,1H3;1-2H3
InChIKeySNYWUGPJVVBFQB-UHFFFAOYSA-N
XLogP2.55
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;(3-hydroxypyrrolidin-1-yl)-[6-[(3-propylazetidin-1-yl)methyl]-2-pyridinyl]methanone?
The IUPAC name of ethane;(3-hydroxypyrrolidin-1-yl)-[6-[(3-propylazetidin-1-yl)methyl]-2-pyridinyl]methanone (CID 177346828) is ethane;(3-hydroxypyrrolidin-1-yl)-[6-[(3-propylazetidin-1-yl)methyl]-2-pyridinyl]methanone.
What is the SMILES notation for ethane;(3-hydroxypyrrolidin-1-yl)-[6-[(3-propylazetidin-1-yl)methyl]-2-pyridinyl]methanone?
The canonical SMILES for ethane;(3-hydroxypyrrolidin-1-yl)-[6-[(3-propylazetidin-1-yl)methyl]-2-pyridinyl]methanone is CC.CCCC1CN(Cc2cccc(C(=O)N3CCC(O)C3)n2)C1.
What is the InChIKey of ethane;(3-hydroxypyrrolidin-1-yl)-[6-[(3-propylazetidin-1-yl)methyl]-2-pyridinyl]methanone?
The InChIKey is SNYWUGPJVVBFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.C2H6/c1-2-4-13-9-19(10-13)11-14-5-3-6-16(18-14)17(22)20-8-7-15(21)12-20;1-2/h3,5-6,13,15,21H,2,4,7-12H2,1H3;1-2H3.
What are the key properties of ethane;(3-hydroxypyrrolidin-1-yl)-[6-[(3-propylazetidin-1-yl)methyl]-2-pyridinyl]methanone?
ethane;(3-hydroxypyrrolidin-1-yl)-[6-[(3-propylazetidin-1-yl)methyl]-2-pyridinyl]methanone has a molecular weight of 333.48 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3-hydroxypyrrolidin-1-yl)-[6-[(3-propylazetidin-1-yl)methyl]-2-pyridinyl]methanone is sourced from PubChem (CID 177346828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).