8-(6-methyl-2-pyridinyl)-4-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one

C19H22N4O3 — CID 118740699

IUPAC8-(6-methyl-2-pyridinyl)-4-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
SMILESCc1cccc(N2CCOCC3(C2)CN(c2cccnc2)C(=O)CO3)n1
InChIInChI=1S/C19H22N4O3/c1-15-4-2-6-17(21-15)22-8-9-25-14-19(12-22)13-23(18(24)11-26-19)16-5-3-7-20-10-16/h2-7,10H,8-9,11-14H2,1H3
InChIKeyRLNCBSIMJOXDTN-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.42
Rot. Bonds2

About 8-(6-methyl-2-pyridinyl)-4-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one

8-(6-methyl-2-pyridinyl)-4-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one (PubChem CID 118740699) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 8-(6-methyl-2-pyridinyl)-4-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name8-(6-methyl-2-pyridinyl)-4-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
PubChem CID118740699
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name8-(6-methyl-2-pyridinyl)-4-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
SMILESCc1cccc(N2CCOCC3(C2)CN(c2cccnc2)C(=O)CO3)n1
InChIInChI=1S/C19H22N4O3/c1-15-4-2-6-17(21-15)22-8-9-25-14-19(12-22)13-23(18(24)11-26-19)16-5-3-7-20-10-16/h2-7,10H,8-9,11-14H2,1H3
InChIKeyRLNCBSIMJOXDTN-UHFFFAOYSA-N
XLogP1.42
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-(6-methyl-2-pyridinyl)-4-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one with MolForge

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Related Compounds

4-(3-(4-Methyl-1,4-diazepan-1-yl)-5-(pyridin-4-yl)pyrazin-2-yl)morpholine
CID 11503627
Pyrido(3,4-b)pyrazin-2(1H)-one, 1-(2-morpholinoethyl)-3-methyl-
CID 3070228
4H-Pyrido(2,3-b)(1,4)diazepin-4-one, 3,5-dihydro-2-methyl-5-(2-(4-morpholinyl)ethyl)-, monohydrochloride
CID 3087183
1-(2-Morpholin-4-yl-3-pyridinyl)-3-(1-pyridin-2-ylethyl)urea
CID 71937794
N,N-dimethyl-3-oxo-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97372506
9-[(1-Methylimidazol-2-yl)methyl]-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97385652
9-Pyridin-2-yl-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97385654
4-Pyridin-2-yl-9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97450934
(5-Methylpyrazin-2-yl)-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 97450947
2-Methoxy-1-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 97450952
4-(Pyridin-2-ylmethyl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97451048
9-[(6-Methyl-2-pyridinyl)methyl]-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97451074

Frequently Asked Questions

What is the IUPAC name of 8-(6-methyl-2-pyridinyl)-4-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of 8-(6-methyl-2-pyridinyl)-4-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one (CID 118740699) is 8-(6-methyl-2-pyridinyl)-4-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for 8-(6-methyl-2-pyridinyl)-4-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for 8-(6-methyl-2-pyridinyl)-4-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one is Cc1cccc(N2CCOCC3(C2)CN(c2cccnc2)C(=O)CO3)n1.
What is the InChIKey of 8-(6-methyl-2-pyridinyl)-4-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The InChIKey is RLNCBSIMJOXDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-15-4-2-6-17(21-15)22-8-9-25-14-19(12-22)13-23(18(24)11-26-19)16-5-3-7-20-10-16/h2-7,10H,8-9,11-14H2,1H3.
What are the key properties of 8-(6-methyl-2-pyridinyl)-4-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
8-(6-methyl-2-pyridinyl)-4-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one has a molecular weight of 354.41 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-methyl-2-pyridinyl)-4-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 118740699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).