7-methyl-1,2-dipyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one

C18H20N4O — CID 59686108

IUPAC7-methyl-1,2-dipyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one
SMILESCN1CCC2(CC1)C(=O)N(c1cccnc1)C2c1cccnc1
InChIInChI=1S/C18H20N4O/c1-21-10-6-18(7-11-21)16(14-4-2-8-19-12-14)22(17(18)23)15-5-3-9-20-13-15/h2-5,8-9,12-13,16H,6-7,10-11H2,1H3
InChIKeySMSXKVDRHSVFFB-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.28
Rot. Bonds2

About 7-methyl-1,2-dipyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one

7-methyl-1,2-dipyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one (PubChem CID 59686108) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 7-methyl-1,2-dipyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name7-methyl-1,2-dipyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one
PubChem CID59686108
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name7-methyl-1,2-dipyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one
SMILESCN1CCC2(CC1)C(=O)N(c1cccnc1)C2c1cccnc1
InChIInChI=1S/C18H20N4O/c1-21-10-6-18(7-11-21)16(14-4-2-8-19-12-14)22(17(18)23)15-5-3-9-20-13-15/h2-5,8-9,12-13,16H,6-7,10-11H2,1H3
InChIKeySMSXKVDRHSVFFB-UHFFFAOYSA-N
XLogP2.28
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Phenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 695027
(2-Methyl-pyridin-3-yl)-[4-(3-phenyl-3-pyrrolidin-1-yl-propionyl)-piperazin-1-yl]-acetonitrile
CID 9979382
(2-Methyl-pyridin-3-yl)-{4-[3-(2-oxo-pyrrolidin-1-yl)-3-phenyl-propionyl]-piperazin-1-yl}-acetonitrile
CID 10365462
[4-(4-Phenyl-butyryl)-piperazin-1-yl]-pyridin-3-yl-acetonitrile; hydrate
CID 10383132
(2-Methyl-pyridin-3-yl)-[4-(3-phenyl-butyryl)-piperazin-1-yl]-acetonitrile
CID 10384056
2-(4-Octanoylpiperazin-1-yl)-2-pyridin-3-ylacetonitrile;hydrochloride
CID 21685899
1-[(3-Methyl-2-pyridinyl)methyl]-1'-(4-phenylphenyl)spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one
CID 44514766
N,N-dimethyl-1-(4-pyridin-2-yl-3-pyridinyl)piperidine-4-carboxamide
CID 118450392
N-cyclopropyl-1-(4-pyridin-2-yl-3-pyridinyl)piperidine-4-carboxamide
CID 118450541
1,3-Dimethyl-5,5-bis(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione
CID 2288252
(2S)-2-amino-3-phenyl-N-{5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}propanamide
CID 23646977
((3S,4S)-3-((4-(allyl(pyridin-3-yl)amino)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)(cyclohexyl)methanone
CID 505873

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,2-dipyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one?
The IUPAC name of 7-methyl-1,2-dipyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one (CID 59686108) is 7-methyl-1,2-dipyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one.
What is the SMILES notation for 7-methyl-1,2-dipyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one?
The canonical SMILES for 7-methyl-1,2-dipyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one is CN1CCC2(CC1)C(=O)N(c1cccnc1)C2c1cccnc1.
What is the InChIKey of 7-methyl-1,2-dipyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one?
The InChIKey is SMSXKVDRHSVFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-21-10-6-18(7-11-21)16(14-4-2-8-19-12-14)22(17(18)23)15-5-3-9-20-13-15/h2-5,8-9,12-13,16H,6-7,10-11H2,1H3.
What are the key properties of 7-methyl-1,2-dipyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one?
7-methyl-1,2-dipyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one has a molecular weight of 308.38 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,2-dipyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one is sourced from PubChem (CID 59686108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).