ethane;[6-[(3-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone

C20H35N3O — CID 177348708

IUPACethane;[6-[(3-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCC.CC.CC1CCN(Cc2cccc(C(=O)N3CCCC3)n2)C1
InChIInChI=1S/C16H23N3O.2C2H6/c1-13-7-10-18(11-13)12-14-5-4-6-15(17-14)16(20)19-8-2-3-9-19;2*1-2/h4-6,13H,2-3,7-12H2,1H3;2*1-2H3
InChIKeyYGKONACMLDIRHQ-UHFFFAOYSA-N
MW333.52 g/mol
LogP4.21
Rot. Bonds3

About ethane;[6-[(3-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone

ethane;[6-[(3-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 177348708) has the molecular formula C20H35N3O and a molecular weight of 333.52 g/mol. Its IUPAC name is ethane;[6-[(3-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Nameethane;[6-[(3-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID177348708
Molecular FormulaC20H35N3O
Molecular Weight333.52 g/mol
Exact Mass333.28
IUPAC Nameethane;[6-[(3-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCC.CC.CC1CCN(Cc2cccc(C(=O)N3CCCC3)n2)C1
InChIInChI=1S/C16H23N3O.2C2H6/c1-13-7-10-18(11-13)12-14-5-4-6-15(17-14)16(20)19-8-2-3-9-19;2*1-2/h4-6,13H,2-3,7-12H2,1H3;2*1-2H3
InChIKeyYGKONACMLDIRHQ-UHFFFAOYSA-N
XLogP4.21
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[6-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 177347694
[6-(3-methylpiperidine-1-carbonyl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109095169
6-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909015
(3-methoxyazetidin-1-yl)-[6-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]methanone
CID 177347554
[6-(aminomethyl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 82506917
[6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 58211130
ethane;(3-hydroxypyrrolidin-1-yl)-[6-[(3-propylazetidin-1-yl)methyl]-2-pyridinyl]methanone
CID 177346828
[6-[(3-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]hydrazine
CID 79242934
6-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106905038
methyl 6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylate
CID 106905294
(6-amino-2-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62240676
[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 58211188

Frequently Asked Questions

What is the IUPAC name of ethane;[6-[(3-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of ethane;[6-[(3-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone (CID 177348708) is ethane;[6-[(3-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for ethane;[6-[(3-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for ethane;[6-[(3-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone is CC.CC.CC1CCN(Cc2cccc(C(=O)N3CCCC3)n2)C1.
What is the InChIKey of ethane;[6-[(3-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is YGKONACMLDIRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O.2C2H6/c1-13-7-10-18(11-13)12-14-5-4-6-15(17-14)16(20)19-8-2-3-9-19;2*1-2/h4-6,13H,2-3,7-12H2,1H3;2*1-2H3.
What are the key properties of ethane;[6-[(3-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
ethane;[6-[(3-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 333.52 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[6-[(3-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 177348708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).