2-[2-methyl-6-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]-2,9-diazaspiro[5.5]undecan-1-one

C24H37N5O — CID 54591076

IUPAC2-[2-methyl-6-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]-2,9-diazaspiro[5.5]undecan-1-one
SMILESCc1nc(N2CC[C@@H](N3CCC[C@@H]3C)C2)ccc1N1CCCC2(CCNCC2)C1=O
InChIInChI=1S/C24H37N5O/c1-18-5-3-14-28(18)20-8-16-27(17-20)22-7-6-21(19(2)26-22)29-15-4-9-24(23(29)30)10-12-25-13-11-24/h6-7,18,20,25H,3-5,8-17H2,1-2H3/t18-,20+/m0/s1
InChIKeyLZWCHVKJGNMAEK-AZUAARDMSA-N
MW411.59 g/mol
LogP2.95
Rot. Bonds3

About 2-[2-methyl-6-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]-2,9-diazaspiro[5.5]undecan-1-one

2-[2-methyl-6-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 54591076) has the molecular formula C24H37N5O and a molecular weight of 411.59 g/mol. Its IUPAC name is 2-[2-methyl-6-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name2-[2-methyl-6-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID54591076
Molecular FormulaC24H37N5O
Molecular Weight411.59 g/mol
Exact Mass411.30
IUPAC Name2-[2-methyl-6-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]-2,9-diazaspiro[5.5]undecan-1-one
SMILESCc1nc(N2CC[C@@H](N3CCC[C@@H]3C)C2)ccc1N1CCCC2(CCNCC2)C1=O
InChIInChI=1S/C24H37N5O/c1-18-5-3-14-28(18)20-8-16-27(17-20)22-7-6-21(19(2)26-22)29-15-4-9-24(23(29)30)10-12-25-13-11-24/h6-7,18,20,25H,3-5,8-17H2,1-2H3/t18-,20+/m0/s1
InChIKeyLZWCHVKJGNMAEK-AZUAARDMSA-N
XLogP2.95
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.59
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-6-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 2-[2-methyl-6-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]-2,9-diazaspiro[5.5]undecan-1-one (CID 54591076) is 2-[2-methyl-6-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 2-[2-methyl-6-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 2-[2-methyl-6-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]-2,9-diazaspiro[5.5]undecan-1-one is Cc1nc(N2CC[C@@H](N3CCC[C@@H]3C)C2)ccc1N1CCCC2(CCNCC2)C1=O.
What is the InChIKey of 2-[2-methyl-6-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is LZWCHVKJGNMAEK-AZUAARDMSA-N. The full InChI is InChI=1S/C24H37N5O/c1-18-5-3-14-28(18)20-8-16-27(17-20)22-7-6-21(19(2)26-22)29-15-4-9-24(23(29)30)10-12-25-13-11-24/h6-7,18,20,25H,3-5,8-17H2,1-2H3/t18-,20+/m0/s1.
What are the key properties of 2-[2-methyl-6-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]-2,9-diazaspiro[5.5]undecan-1-one?
2-[2-methyl-6-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 411.59 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-6-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 54591076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).