1-methyl-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

C20H31N5O — CID 72839919

IUPAC1-methyl-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(c2ccc(CN3CCCC3)cn2)CC12CCNC(=O)CC2
InChIInChI=1S/C20H31N5O/c1-23-12-13-25(16-20(23)7-6-19(26)21-9-8-20)18-5-4-17(14-22-18)15-24-10-2-3-11-24/h4-5,14H,2-3,6-13,15-16H2,1H3,(H,21,26)
InChIKeyPKSUKHVUSGKGSX-UHFFFAOYSA-N
MW357.50 g/mol
LogP1.47
Rot. Bonds3

About 1-methyl-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

1-methyl-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 72839919) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-methyl-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name1-methyl-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID72839919
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC Name1-methyl-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(c2ccc(CN3CCCC3)cn2)CC12CCNC(=O)CC2
InChIInChI=1S/C20H31N5O/c1-23-12-13-25(16-20(23)7-6-19(26)21-9-8-20)18-5-4-17(14-22-18)15-24-10-2-3-11-24/h4-5,14H,2-3,6-13,15-16H2,1H3,(H,21,26)
InChIKeyPKSUKHVUSGKGSX-UHFFFAOYSA-N
XLogP1.47
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one with MolForge

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Related Compounds

1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72941260
(6S)-1-methyl-4-(6-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97122849
4-[[(6R)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]methyl]benzoic acid
CID 98788809
(6S)-1-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97122145
4-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72883515
(6R)-1-methyl-4-[(1-propylimidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98788792
(6R)-1-methyl-4-(3-pyridin-3-ylpropyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98788911
(6R)-4-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98807719
(6R)-4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98805016
4-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70768110
6-methyl-2-[(6R)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]pyridine-3-carbonitrile
CID 98788801
(6S)-1-methyl-4-(pyrrolidine-1-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97197677

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 1-methyl-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 72839919) is 1-methyl-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 1-methyl-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 1-methyl-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is CN1CCN(c2ccc(CN3CCCC3)cn2)CC12CCNC(=O)CC2.
What is the InChIKey of 1-methyl-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is PKSUKHVUSGKGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O/c1-23-12-13-25(16-20(23)7-6-19(26)21-9-8-20)18-5-4-17(14-22-18)15-24-10-2-3-11-24/h4-5,14H,2-3,6-13,15-16H2,1H3,(H,21,26).
What are the key properties of 1-methyl-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
1-methyl-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 357.50 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 72839919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).