[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C19H24N4O2 — CID 97337826

IUPAC[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCC[C@@H](C)Oc1cc(C(=O)N2CCN(c3ccccn3)CC2)ccn1
InChIInChI=1S/C19H24N4O2/c1-3-15(2)25-18-14-16(7-9-21-18)19(24)23-12-10-22(11-13-23)17-6-4-5-8-20-17/h4-9,14-15H,3,10-13H2,1-2H3/t15-/m1/s1
InChIKeyDAZOFGLBUNPQIM-OAHLLOKOSA-N
MW340.43 g/mol
LogP2.62
Rot. Bonds5

About [2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 97337826) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID97337826
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCC[C@@H](C)Oc1cc(C(=O)N2CCN(c3ccccn3)CC2)ccn1
InChIInChI=1S/C19H24N4O2/c1-3-15(2)25-18-14-16(7-9-21-18)19(24)23-12-10-22(11-13-23)17-6-4-5-8-20-17/h4-9,14-15H,3,10-13H2,1-2H3/t15-/m1/s1
InChIKeyDAZOFGLBUNPQIM-OAHLLOKOSA-N
XLogP2.62
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(2-butan-2-yloxy-4-pyridinyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 75472306
N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109080186
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
N-butan-2-yl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109079999
N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109044082
[2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]methanone
CID 99776885
(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109053532
[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-[4-(oxan-4-yl)piperidin-1-yl]methanone
CID 97338435
3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzoic acid
CID 82183749
(2-butan-2-yloxy-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 75483584
(2R)-1-(2-butan-2-yloxypyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 120537390
N-[2-(dimethylamino)ethyl]-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109083595

Frequently Asked Questions

What is the IUPAC name of [2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 97337826) is [2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is CC[C@@H](C)Oc1cc(C(=O)N2CCN(c3ccccn3)CC2)ccn1.
What is the InChIKey of [2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is DAZOFGLBUNPQIM-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-3-15(2)25-18-14-16(7-9-21-18)19(24)23-12-10-22(11-13-23)17-6-4-5-8-20-17/h4-9,14-15H,3,10-13H2,1-2H3/t15-/m1/s1.
What are the key properties of [2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 340.43 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 97337826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).