7-(6-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one

C19H22N4O — CID 97472888

IUPAC7-(6-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
SMILESCc1cccc(N2CCC3(CC2)CN(Cc2cccnc2)C3=O)n1
InChIInChI=1S/C19H22N4O/c1-15-4-2-6-17(21-15)22-10-7-19(8-11-22)14-23(18(19)24)13-16-5-3-9-20-12-16/h2-6,9,12H,7-8,10-11,13-14H2,1H3
InChIKeySIKJPMSHNLRIER-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.41
Rot. Bonds3

About 7-(6-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one

7-(6-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one (PubChem CID 97472888) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 7-(6-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name7-(6-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
PubChem CID97472888
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name7-(6-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
SMILESCc1cccc(N2CCC3(CC2)CN(Cc2cccnc2)C3=O)n1
InChIInChI=1S/C19H22N4O/c1-15-4-2-6-17(21-15)22-10-7-19(8-11-22)14-23(18(19)24)13-16-5-3-9-20-12-16/h2-6,9,12H,7-8,10-11,13-14H2,1H3
InChIKeySIKJPMSHNLRIER-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpropyl)-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 97472836
(5R)-2-[(3-methylphenyl)methyl]-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97385757
7-(cyclobutylmethyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 97472901
7-(3,3-dimethylbutanoyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 97472911
(5S)-2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one
CID 97490113
7-ethylsulfonyl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155826705
(5S)-9-methylsulfonyl-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490119
9-methylsulfonyl-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131661433
2-(4-aminopyrimidin-2-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 119058655
2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 117003122
1-[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone
CID 118741130
(5S)-9-(2-methoxyacetyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97371896

Frequently Asked Questions

What is the IUPAC name of 7-(6-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one?
The IUPAC name of 7-(6-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one (CID 97472888) is 7-(6-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one.
What is the SMILES notation for 7-(6-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one?
The canonical SMILES for 7-(6-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one is Cc1cccc(N2CCC3(CC2)CN(Cc2cccnc2)C3=O)n1.
What is the InChIKey of 7-(6-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one?
The InChIKey is SIKJPMSHNLRIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-15-4-2-6-17(21-15)22-10-7-19(8-11-22)14-23(18(19)24)13-16-5-3-9-20-12-16/h2-6,9,12H,7-8,10-11,13-14H2,1H3.
What are the key properties of 7-(6-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one?
7-(6-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one has a molecular weight of 322.41 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one is sourced from PubChem (CID 97472888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).