(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(3-hydroxy-4-pyridinyl)methanone

C17H26N4O2 — CID 77090878

IUPAC(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(3-hydroxy-4-pyridinyl)methanone
SMILESCN1CCCN(C)C2(CCN(C(=O)c3ccncc3O)CC2)C1
InChIInChI=1S/C17H26N4O2/c1-19-8-3-9-20(2)17(13-19)5-10-21(11-6-17)16(23)14-4-7-18-12-15(14)22/h4,7,12,22H,3,5-6,8-11,13H2,1-2H3
InChIKeyDCLVEMPVDPHYRU-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.03
Rot. Bonds1

About (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(3-hydroxy-4-pyridinyl)methanone

(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(3-hydroxy-4-pyridinyl)methanone (PubChem CID 77090878) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(3-hydroxy-4-pyridinyl)methanone.

Molecular Properties

Compound Name(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(3-hydroxy-4-pyridinyl)methanone
PubChem CID77090878
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(3-hydroxy-4-pyridinyl)methanone
SMILESCN1CCCN(C)C2(CCN(C(=O)c3ccncc3O)CC2)C1
InChIInChI=1S/C17H26N4O2/c1-19-8-3-9-20(2)17(13-19)5-10-21(11-6-17)16(23)14-4-7-18-12-15(14)22/h4,7,12,22H,3,5-6,8-11,13H2,1-2H3
InChIKeyDCLVEMPVDPHYRU-UHFFFAOYSA-N
XLogP1.03
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(3-hydroxy-4-pyridinyl)methanone with MolForge

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Related Compounds

(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 72929703
(3-hydroxy-4-pyridinyl)-[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 99971985
(3-hydroxy-4-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 80706861
(5-chloro-2-hydroxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone
CID 56740177
(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(7-fluoro-2-methylquinolin-4-yl)methanone
CID 70759141
(3-hydroxy-4-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 80707017
(3-hydroxy-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 80706680
(4-ethylazepan-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 80706943
(3-hydroxy-4-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 80706708
(3-hydroxy-4-pyridinyl)-(4-propylpiperidin-1-yl)methanone
CID 80718021
azetidin-1-yl-(3-iodo-4-pyridinyl)methanone
CID 130650791
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(3-hydroxy-4-pyridinyl)methanone
CID 81442594

Frequently Asked Questions

What is the IUPAC name of (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(3-hydroxy-4-pyridinyl)methanone?
The IUPAC name of (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(3-hydroxy-4-pyridinyl)methanone (CID 77090878) is (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(3-hydroxy-4-pyridinyl)methanone.
What is the SMILES notation for (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(3-hydroxy-4-pyridinyl)methanone?
The canonical SMILES for (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(3-hydroxy-4-pyridinyl)methanone is CN1CCCN(C)C2(CCN(C(=O)c3ccncc3O)CC2)C1.
What is the InChIKey of (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(3-hydroxy-4-pyridinyl)methanone?
The InChIKey is DCLVEMPVDPHYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-19-8-3-9-20(2)17(13-19)5-10-21(11-6-17)16(23)14-4-7-18-12-15(14)22/h4,7,12,22H,3,5-6,8-11,13H2,1-2H3.
What are the key properties of (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(3-hydroxy-4-pyridinyl)methanone?
(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(3-hydroxy-4-pyridinyl)methanone has a molecular weight of 318.42 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(3-hydroxy-4-pyridinyl)methanone is sourced from PubChem (CID 77090878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).