azonan-1-yl-(2-methyl-6-propan-2-yl-3-pyridinyl)methanone

C18H28N2O — CID 154789120

IUPACazonan-1-yl-(2-methyl-6-propan-2-yl-3-pyridinyl)methanone
SMILESCc1nc(C(C)C)ccc1C(=O)N1CCCCCCCC1
InChIInChI=1S/C18H28N2O/c1-14(2)17-11-10-16(15(3)19-17)18(21)20-12-8-6-4-5-7-9-13-20/h10-11,14H,4-9,12-13H2,1-3H3
InChIKeyNIWWSGFTZGCOAW-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.31
Rot. Bonds2

About azonan-1-yl-(2-methyl-6-propan-2-yl-3-pyridinyl)methanone

azonan-1-yl-(2-methyl-6-propan-2-yl-3-pyridinyl)methanone (PubChem CID 154789120) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is azonan-1-yl-(2-methyl-6-propan-2-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Nameazonan-1-yl-(2-methyl-6-propan-2-yl-3-pyridinyl)methanone
PubChem CID154789120
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Nameazonan-1-yl-(2-methyl-6-propan-2-yl-3-pyridinyl)methanone
SMILESCc1nc(C(C)C)ccc1C(=O)N1CCCCCCCC1
InChIInChI=1S/C18H28N2O/c1-14(2)17-11-10-16(15(3)19-17)18(21)20-12-8-6-4-5-7-9-13-20/h10-11,14H,4-9,12-13H2,1-3H3
InChIKeyNIWWSGFTZGCOAW-UHFFFAOYSA-N
XLogP4.31
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl-(2,6-dimethyl-3-pyridinyl)methanone
CID 60924601
(6-chloro-2-methyl-3-pyridinyl)-piperidin-1-ylmethanone
CID 168678066
(6-amino-2-methyl-3-pyridinyl)-pyrrolidin-1-ylmethanone
CID 134507879
(6-propan-2-ylpyridazin-3-yl)-pyrrolidin-1-ylmethanone
CID 113200325
[4-(1-bromoethyl)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone
CID 106839172
2-methyl-6-propan-2-ylpyridine-3-carbohydrazide
CID 82452163
(2,6-dimethyl-3-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 71933483
ethane;6-propan-2-ylpyridine-2-carboxylic acid;(6-propan-2-yl-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 178152440
azepan-1-yl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 18131924
(2,6-dimethyl-3-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 61060522
(4-aminopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 62829888
(4-bromopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 80661867

Frequently Asked Questions

What is the IUPAC name of azonan-1-yl-(2-methyl-6-propan-2-yl-3-pyridinyl)methanone?
The IUPAC name of azonan-1-yl-(2-methyl-6-propan-2-yl-3-pyridinyl)methanone (CID 154789120) is azonan-1-yl-(2-methyl-6-propan-2-yl-3-pyridinyl)methanone.
What is the SMILES notation for azonan-1-yl-(2-methyl-6-propan-2-yl-3-pyridinyl)methanone?
The canonical SMILES for azonan-1-yl-(2-methyl-6-propan-2-yl-3-pyridinyl)methanone is Cc1nc(C(C)C)ccc1C(=O)N1CCCCCCCC1.
What is the InChIKey of azonan-1-yl-(2-methyl-6-propan-2-yl-3-pyridinyl)methanone?
The InChIKey is NIWWSGFTZGCOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(2)17-11-10-16(15(3)19-17)18(21)20-12-8-6-4-5-7-9-13-20/h10-11,14H,4-9,12-13H2,1-3H3.
What are the key properties of azonan-1-yl-(2-methyl-6-propan-2-yl-3-pyridinyl)methanone?
azonan-1-yl-(2-methyl-6-propan-2-yl-3-pyridinyl)methanone has a molecular weight of 288.44 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azonan-1-yl-(2-methyl-6-propan-2-yl-3-pyridinyl)methanone is sourced from PubChem (CID 154789120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).