3-propan-2-yl-1-[[2-[(3-propan-2-yl-2-pyridinyl)oxy]cyclopropyl]methyl]pyridin-2-one

C20H26N2O2 — CID 170387634

IUPAC3-propan-2-yl-1-[[2-[(3-propan-2-yl-2-pyridinyl)oxy]cyclopropyl]methyl]pyridin-2-one
SMILESCC(C)c1cccnc1OC1CC1Cn1cccc(C(C)C)c1=O
InChIInChI=1S/C20H26N2O2/c1-13(2)16-7-5-9-21-19(16)24-18-11-15(18)12-22-10-6-8-17(14(3)4)20(22)23/h5-10,13-15,18H,11-12H2,1-4H3
InChIKeySTLXHYDWQYZEFF-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.96
Rot. Bonds6

About 3-propan-2-yl-1-[[2-[(3-propan-2-yl-2-pyridinyl)oxy]cyclopropyl]methyl]pyridin-2-one

3-propan-2-yl-1-[[2-[(3-propan-2-yl-2-pyridinyl)oxy]cyclopropyl]methyl]pyridin-2-one (PubChem CID 170387634) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-propan-2-yl-1-[[2-[(3-propan-2-yl-2-pyridinyl)oxy]cyclopropyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name3-propan-2-yl-1-[[2-[(3-propan-2-yl-2-pyridinyl)oxy]cyclopropyl]methyl]pyridin-2-one
PubChem CID170387634
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name3-propan-2-yl-1-[[2-[(3-propan-2-yl-2-pyridinyl)oxy]cyclopropyl]methyl]pyridin-2-one
SMILESCC(C)c1cccnc1OC1CC1Cn1cccc(C(C)C)c1=O
InChIInChI=1S/C20H26N2O2/c1-13(2)16-7-5-9-21-19(16)24-18-11-15(18)12-22-10-6-8-17(14(3)4)20(22)23/h5-10,13-15,18H,11-12H2,1-4H3
InChIKeySTLXHYDWQYZEFF-UHFFFAOYSA-N
XLogP3.96
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-propan-2-yl-1-[[2-[(3-propan-2-yl-2-pyridinyl)oxy]cyclopropyl]methyl]pyridin-2-one with MolForge

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Related Compounds

2-cyclopentyloxy-3-propan-2-ylpyridine
CID 164786462
1-(2-ethoxyethyl)-3-propan-2-ylpyridin-2-one
CID 178098981
1-(2-methylpropyl)-3-propan-2-ylpyridin-2-one
CID 178098988
2-ethoxy-3-propan-2-ylpyridine
CID 58551728
2-(cyclopropylmethoxy)-3-propan-2-ylpyridine
CID 164786458
1-[(1-methoxycyclopropyl)methyl]-3-propan-2-ylpyridin-2-one
CID 178098892
ethane;1-[(1-methoxycyclopropyl)methyl]-3-propan-2-ylpyridin-2-one
CID 178098891
ethane;2-methoxy-3-propan-2-ylpyridine
CID 155741549
1-[2-(2-ethylcyclohexyl)oxy-3-pyridinyl]ethanamine
CID 114056592
2-[(3-propan-2-yloxy-2-pyridinyl)oxy]cyclohexan-1-amine
CID 113395516
(1S)-1-(2-cyclopentyloxy-3-pyridinyl)ethanamine
CID 103695133
2-iodo-3-propan-2-ylpyridine
CID 23436890

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-[[2-[(3-propan-2-yl-2-pyridinyl)oxy]cyclopropyl]methyl]pyridin-2-one?
The IUPAC name of 3-propan-2-yl-1-[[2-[(3-propan-2-yl-2-pyridinyl)oxy]cyclopropyl]methyl]pyridin-2-one (CID 170387634) is 3-propan-2-yl-1-[[2-[(3-propan-2-yl-2-pyridinyl)oxy]cyclopropyl]methyl]pyridin-2-one.
What is the SMILES notation for 3-propan-2-yl-1-[[2-[(3-propan-2-yl-2-pyridinyl)oxy]cyclopropyl]methyl]pyridin-2-one?
The canonical SMILES for 3-propan-2-yl-1-[[2-[(3-propan-2-yl-2-pyridinyl)oxy]cyclopropyl]methyl]pyridin-2-one is CC(C)c1cccnc1OC1CC1Cn1cccc(C(C)C)c1=O.
What is the InChIKey of 3-propan-2-yl-1-[[2-[(3-propan-2-yl-2-pyridinyl)oxy]cyclopropyl]methyl]pyridin-2-one?
The InChIKey is STLXHYDWQYZEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-13(2)16-7-5-9-21-19(16)24-18-11-15(18)12-22-10-6-8-17(14(3)4)20(22)23/h5-10,13-15,18H,11-12H2,1-4H3.
What are the key properties of 3-propan-2-yl-1-[[2-[(3-propan-2-yl-2-pyridinyl)oxy]cyclopropyl]methyl]pyridin-2-one?
3-propan-2-yl-1-[[2-[(3-propan-2-yl-2-pyridinyl)oxy]cyclopropyl]methyl]pyridin-2-one has a molecular weight of 326.44 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-[[2-[(3-propan-2-yl-2-pyridinyl)oxy]cyclopropyl]methyl]pyridin-2-one is sourced from PubChem (CID 170387634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).