3-(2-methoxypyridine-4-carbonyl)-9,9-dimethyl-3,7,11-triazaspiro[5.6]dodecan-12-one

C18H26N4O3 — CID 138384370

IUPAC3-(2-methoxypyridine-4-carbonyl)-9,9-dimethyl-3,7,11-triazaspiro[5.6]dodecan-12-one
SMILESCOc1cc(C(=O)N2CCC3(CC2)NCC(C)(C)CNC3=O)ccn1
InChIInChI=1S/C18H26N4O3/c1-17(2)11-20-16(24)18(21-12-17)5-8-22(9-6-18)15(23)13-4-7-19-14(10-13)25-3/h4,7,10,21H,5-6,8-9,11-12H2,1-3H3,(H,20,24)
InChIKeyRNXBSRSSCCVEKE-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.81
Rot. Bonds2

About 3-(2-methoxypyridine-4-carbonyl)-9,9-dimethyl-3,7,11-triazaspiro[5.6]dodecan-12-one

3-(2-methoxypyridine-4-carbonyl)-9,9-dimethyl-3,7,11-triazaspiro[5.6]dodecan-12-one (PubChem CID 138384370) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-(2-methoxypyridine-4-carbonyl)-9,9-dimethyl-3,7,11-triazaspiro[5.6]dodecan-12-one.

Molecular Properties

Compound Name3-(2-methoxypyridine-4-carbonyl)-9,9-dimethyl-3,7,11-triazaspiro[5.6]dodecan-12-one
PubChem CID138384370
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name3-(2-methoxypyridine-4-carbonyl)-9,9-dimethyl-3,7,11-triazaspiro[5.6]dodecan-12-one
SMILESCOc1cc(C(=O)N2CCC3(CC2)NCC(C)(C)CNC3=O)ccn1
InChIInChI=1S/C18H26N4O3/c1-17(2)11-20-16(24)18(21-12-17)5-8-22(9-6-18)15(23)13-4-7-19-14(10-13)25-3/h4,7,10,21H,5-6,8-9,11-12H2,1-3H3,(H,20,24)
InChIKeyRNXBSRSSCCVEKE-UHFFFAOYSA-N
XLogP0.81
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2-methoxypyridine-4-carbonyl)-9,9-dimethyl-3,7,11-triazaspiro[5.6]dodecan-12-one with MolForge

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Related Compounds

3-(2-methoxypyridine-4-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one
CID 56715208
(2-methoxy-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 110849835
8-(2-methoxypyridine-4-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72871159
(4R)-8-(2-methoxypyridine-4-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97123973
2-ethyl-8-(2-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70780066
9,9-dimethyl-3-[6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 138380775
9,9-dimethyl-3-[4-(tetrazol-1-ylmethyl)benzoyl]-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 138379907
[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(2-methoxy-4-pyridinyl)methanone
CID 72870237
(4-aminopiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121200428
1-(2-methoxypyridine-4-carbonyl)piperidine-4-carboxamide
CID 84580487
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 129492955
(4,4-dimethylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
CID 167547191

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxypyridine-4-carbonyl)-9,9-dimethyl-3,7,11-triazaspiro[5.6]dodecan-12-one?
The IUPAC name of 3-(2-methoxypyridine-4-carbonyl)-9,9-dimethyl-3,7,11-triazaspiro[5.6]dodecan-12-one (CID 138384370) is 3-(2-methoxypyridine-4-carbonyl)-9,9-dimethyl-3,7,11-triazaspiro[5.6]dodecan-12-one.
What is the SMILES notation for 3-(2-methoxypyridine-4-carbonyl)-9,9-dimethyl-3,7,11-triazaspiro[5.6]dodecan-12-one?
The canonical SMILES for 3-(2-methoxypyridine-4-carbonyl)-9,9-dimethyl-3,7,11-triazaspiro[5.6]dodecan-12-one is COc1cc(C(=O)N2CCC3(CC2)NCC(C)(C)CNC3=O)ccn1.
What is the InChIKey of 3-(2-methoxypyridine-4-carbonyl)-9,9-dimethyl-3,7,11-triazaspiro[5.6]dodecan-12-one?
The InChIKey is RNXBSRSSCCVEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-17(2)11-20-16(24)18(21-12-17)5-8-22(9-6-18)15(23)13-4-7-19-14(10-13)25-3/h4,7,10,21H,5-6,8-9,11-12H2,1-3H3,(H,20,24).
What are the key properties of 3-(2-methoxypyridine-4-carbonyl)-9,9-dimethyl-3,7,11-triazaspiro[5.6]dodecan-12-one?
3-(2-methoxypyridine-4-carbonyl)-9,9-dimethyl-3,7,11-triazaspiro[5.6]dodecan-12-one has a molecular weight of 346.43 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxypyridine-4-carbonyl)-9,9-dimethyl-3,7,11-triazaspiro[5.6]dodecan-12-one is sourced from PubChem (CID 138384370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).