1-[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone

C21H26N4O — CID 118741130

IUPAC1-[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone
SMILESCc1cccc(N2CCC3(CCCN(C(=O)Cc4cccnc4)C3)C2)n1
InChIInChI=1S/C21H26N4O/c1-17-5-2-7-19(23-17)24-12-9-21(15-24)8-4-11-25(16-21)20(26)13-18-6-3-10-22-14-18/h2-3,5-7,10,14H,4,8-9,11-13,15-16H2,1H3
InChIKeyDVXCGTZAWQHZGJ-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.85
Rot. Bonds3

About 1-[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone

1-[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone (PubChem CID 118741130) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 1-[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone
PubChem CID118741130
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name1-[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone
SMILESCc1cccc(N2CCC3(CCCN(C(=O)Cc4cccnc4)C3)C2)n1
InChIInChI=1S/C21H26N4O/c1-17-5-2-7-19(23-17)24-12-9-21(15-24)8-4-11-25(16-21)20(26)13-18-6-3-10-22-14-18/h2-3,5-7,10,14H,4,8-9,11-13,15-16H2,1H3
InChIKeyDVXCGTZAWQHZGJ-UHFFFAOYSA-N
XLogP2.85
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone with MolForge

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Launch Full Analysis

Related Compounds

(5R)-N,N-dimethyl-9-(2-pyridin-3-ylacetyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 97370537
1-[(5R)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone
CID 97370532
[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155827028
2-pyridin-3-yl-1-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)ethanone
CID 98776766
2-pyridin-3-yl-1-[(5R)-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 97370510
1-[(5R)-2-[(3S)-oxolan-3-yl]-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone
CID 98776791
1-(3,3-diphenylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 72933718
7-(6-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 97472888
2-(6-methyl-2-pyridinyl)-7-methylsulfonyl-2,7-diazaspiro[4.5]decane
CID 134073864
1-[9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-pyridin-3-ylpropan-1-one
CID 45215852
1-(2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)ethanone
CID 134074831
2-(6-methyl-2-pyridinyl)-2-azaspiro[5.5]undec-9-ene
CID 133483282

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone (CID 118741130) is 1-[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone is Cc1cccc(N2CCC3(CCCN(C(=O)Cc4cccnc4)C3)C2)n1.
What is the InChIKey of 1-[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone?
The InChIKey is DVXCGTZAWQHZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-17-5-2-7-19(23-17)24-12-9-21(15-24)8-4-11-25(16-21)20(26)13-18-6-3-10-22-14-18/h2-3,5-7,10,14H,4,8-9,11-13,15-16H2,1H3.
What are the key properties of 1-[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone?
1-[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone has a molecular weight of 350.47 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 118741130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).